cid
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3
9
cmpdname
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320
cmpdsynonym
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3
10k
mw
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7
8
mf
stringlengths
2
18
polararea
stringlengths
5
8
complexity
stringlengths
5
9
xlogp
stringclasses
202 values
heavycnt
stringclasses
120 values
hbonddonor
stringclasses
35 values
hbondacc
stringclasses
46 values
rotbonds
stringclasses
66 values
inchi
stringlengths
11
2.96k
isosmiles
stringlengths
4
1.09k
canonicalsmiles
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4
836
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27
27
iupacname
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4
1.38k
exactmass
stringlengths
3
7
monoisotopicmass
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3
7
charge
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13 values
covalentunitcnt
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13 values
isotopeatomcnt
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6 values
totalatomstereocnt
stringclasses
32 values
definedatomstereocnt
stringclasses
33 values
undefinedatomstereocnt
stringclasses
18 values
totalbondstereocnt
stringclasses
10 values
definedbondstereocnt
stringclasses
10 values
undefinedbondstereocnt
stringclasses
6 values
pclidcnt
stringlengths
1
6
gpidcnt
stringlengths
1
6
gpfamilycnt
stringlengths
1
6
neighbortype
stringclasses
3 values
meshheadings
stringclasses
378 values
annothits
stringlengths
7
466
annothitcnt
stringclasses
21 values
aids
stringlengths
3
10k
cidcdate
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4
7.06k
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2.45k
64927
Chloroquine Phosphate
Chloroquine diphosphate|Chloroquine phosphate|50-63-5|Resochin|Arechin|Aralen phosphate|Chloroquine diphosphate salt|Avloclor|Tanakan|Quingamine|Delagil|Miniquine|Tanakene|Chloroquine bis(phosphate)|Chlorochin diphosphate|Chloroquine (phosphate)|Chingamin phosphate|dl-Chloroquine diphosphate|Khingamin|Ipsen 225|N4-(7-chloroquinolin-4-yl)-N1,N1-diethylpentane-1,4-diamine bis(phosphate)|NSC 14050|Aralen diphosphate|CCRIS 1554|Unikinon|Gontochin phosphate|Chloroquin diphosphate|EINECS 200-055-2|Chloroquinediphosphate|Chloroquine dihydrogen phosphate (1:2)|UNII-6E17K3343P|AI3-14952|MFCD00069852|NSC-14050|6E17K3343P|SN-7618|WR-1522|N4-(7-Chloro-4-quinolinyl)-N1,N1-dimethyl-1,4-pentanediamine diphosphate salt|DTXSID7044681|Chloroquine phosphate [USP:BAN]|3377 RP|Chloroquine (phosphate) (Standard)|50-63-5 (DIPHOSPHATE)|SN 7,618|7-Chloro-4-((4-(diethylamino)-1-methylbutyl)amino)quinoline phosphate (1:2)|1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, phosphate (1:2)|N(4)-(7-Chloro-4-quinolinyl)-N(1),N(1)-diethyl-1,4-pentanediamine, phosphate (1:2)|1,4-Pentanediamine, N(sup 4)-(7-chloro-4-quinolinyl)-N(sup 1),N(sup 1)-diethyl-, phosphate (1:2)|Chingaminum|Alermine|H-Stadur|1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N',N'-diethyl-, (+-)-, phosphate (1:2)|Quinoline, 7-chloro-4-((4-(diethylamino)-1-methylbutyl)amino)-, phosphate (1:2)|DTXCID5024681|Chloroquine phosphate (USP:BAN)|Tanakan (antimalarial)|CHLOROQUINE PHOSPHATE (MART.)|CHLOROQUINE PHOSPHATE [MART.]|CHLOROQUINE PHOSPHATE (USP-RS)|CHLOROQUINE PHOSPHATE [USP-RS]|7-CHLORO-4-((4-(DIETHYLAMINO)-1-METHYLBUTYL)AMINO)QUINOLINE PHOSPHATE (1:2).|CHLOROQUINE PHOSPHATE (EP MONOGRAPH)|CHLOROQUINE PHOSPHATE [EP MONOGRAPH]|NSC14050|CHLOROQUINE PHOSPHATE (USP MONOGRAPH)|CHLOROQUINE PHOSPHATE [USP MONOGRAPH]|SR-01000075548|WR 1522|Chloroquindiphosphat|Chloroquinum Phos.|Chloroquini phosphas|Prestwick_867|Aralen (TN)|CAS-50-63-5|NCGC00015256-01|7-Chlor-4-(4-(diaethylamino)-1-methylbutylamino)-chinolindiphosphat [German]|Chloroquine diphosphate,(S)|1,4-diamine bis(phosphate)|Chloroquine phosphate (USP)|SCHEMBL40827|CHEMBL58510|SPECTRUM1500179|C18H26ClN3?2H3PO4|HMS501E06|QKICWELGRMTQCR-UHFFFAOYSA-N|HMS1569N17|HMS1920O05|HMS2091C16|HMS2096N17|HMS3260L14|HMS3713N17|BCP31956|CHLOROQUINE DIPHOSPHATE [MI]|Tox21_110115|Tox21_202838|Tox21_500296|7-Chlor-4-(4-(diaethylamino)-1-methylbutylamino)-chinolindiphosphat|CCG-39643|CHLOROQUINE PHOSPHATE [VANDF]|HB5073|HY-17589R|s4157|AKOS004910410|CHLOROQUINE PHOSPHATE [WHO-DD]|CHLOROQUINE PHOSPHATE [WHO-IP]|N4-(7-chloro-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine; phosphoric acid|Quinoline, 7-chloro-4-(4-diethylamino-1-methyl-butylamino)-, diphosphate|Tox21_110115_1|CS-3811|DT-0015|LP00296|NCGC00015256-12|NCGC00093746-01|NCGC00093746-02|NCGC00093746-03|NCGC00260384-01|NCGC00260981-01|AC-12463|CHLOROQUINE PHOSPHATE [GREEN BOOK]|HY-17589|SY021941|CHLOROQUINE PHOSPHATE [ORANGE BOOK]|CHLOROQUINI PHOSPHAS [WHO-IP LATIN]|DB-051808|C2301|Chloroquine diphosphate salt, solid, >=98%|CS-0695021|EU-0100296|NS00078674|C 6628|D02125|D70732|EN300-100253|A828213|N4-(7-chloroquinolin-4-yl)-N1,N1-diethylpentane-|SR-01000075548-1|SR-01000075548-3|SR-01000075548-5|Q27264629|F2173-1139|Z1541662176|7-Chloro-4-[4-(diethylamino)-1-methylbutylamino]quinoline Bis(phosphate)|7-Chloro-4-[4-(diethylamino)-1-methylbutylamino]quinoline Diphosphate|Chloroquine phosphate, United States Pharmacopeia (USP) Reference Standard|N4-(7-Chloro-4-quinolyl)-N1,N1-diethyl-1,4-pentanediamine Diphosphate|7-CHLORO-N-[5-(DIETHYLAMINO)PENTAN-2-YL]QUINOLIN-4-AMINE; BIS(PHOSPHORIC ACID)|Chloroquine phosphate, Pharmaceutical Secondary Standard; Certified Reference Material|Chloroquine phosphate;Aralen phosphate;7-chloro-4-((4 inverted exclamation mark -diethylamino-1-methylbutyl)amino)quinolinediphosphate
515.900
C18H32ClN3O8P2
184.000
359.000
null
32
7
11
8
InChI=1S/C18H26ClN3.2H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*(H3,1,2,3,4)
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O
QKICWELGRMTQCR-UHFFFAOYSA-N
4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid
515.135
515.135
0
3
0
1
0
1
0
0
0
1331
3519
1053
2D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
17
377|422|429|436|547|694|732|875|880|881|884|885|887|889|892|893|894|900|902|910|923|924|927|930|940|995|1030|1379|1422|1452|1454|1457|1458|1459|1460|1461|1463|1467|1468|1469|1471|1476|1477|1478|1479|1487|1490|1519|1580|1581|1582|1583|1584|1585|1586|1587|1588|1589|1590|1593|1594|1595|1596|1597|1598|1599|1600|1601|1602|1603|1604|1605|1606|1607|1608|1609|1610|1612|1613|1614|1616|1705|1707|1708|1766|1768|1815|1816|1828|1865|1876|1877|1882|1883|1886|1948|1967|2101|2107|2112|2147|2323|2326|2353|2364|2451|2472|2517|2528|2546|2549|2551|2662|2675|2732|2774|110857|123377|152003|152004|157669|158043|158044|158045|158814|158853|158854|220906|241713|245851|247780|247907|248025|248026|248041|248061|248766|249426|249556|252237|252238|252933|252934|252935|252936|253006|253013|253247|253254|285331|285332|285333|285334|285335|285336|337702|343451|343452|343453|343454|343455|343456|343457|343458|343459|343460|343461|343462|343463|343464|343465|343466|343467|343468|343469|343470|343471|343770|343771|355907|356616|356617|357311|357913|357914|357915|357916|357917|357918|357919|357920|360825|360826|360827|360829|363626|363631|363636|363641|377561|377562|377563|377564|377565|378591|378592|378593|378703|379451|379452|384960|384961|385159|389363|402115|418854|420491|442671|442672|442673|442674|442675|442676|442677|442678|442679|442680|442681|442682|442683|442684|442685|442686|442687|442688|442689|442690|443011|443012|443013|443014|443015|443094|445065|445066|445067|445068|445069|445074|445075|445076|459100|459102|459105|459106|459107|459108|459109|459110|463096|463097|463189|485281|485290|485314|485350|488745|488752|488949|488979|488980|490213|490214|490218|490222|492967|493033|493127|493140|493162|493189|494641|494642|494643|494644|502658|504327|504332|504364|504770|504821|504847|504865|521220|524790|524791|524792|524793|524794|524795|524796|529905|540256|540276|540299|576507|588453|588519|588579|588590|588591|588834|602314|602332|624349|641004|641008|651631|651632|651633|651634|651635|651828|652048|652051|686978|686979|687035|687037|720516|720532|720533|720552|720579|720580|720634|720635|720637|720641|720674|720675|720678|720679|720680|720681|720682|720683|720684|720685|720686|720687|720691|720692|720693|720717|720719|720725|743012|743014|743015|743033|743035|743036|743040|743041|743042|743053|743054|743063|743064|743065|743066|743067|743069|743074|743075|743077|743078|743079|743080|743081|743083|743084|743085|743086|743091|743094|743122|743139|743140|743191|743194|743199|743202|743203|743209|743210|743211|743212|743213|743215|743217|743218|743219|743220|743221|743222|743223|743224|743225|743226|743227|743228|743239|743240|743241|743242|743244|759715|759716|759717|759718|759719|759720|759721|765571|765572|765573|977599|977602|1057136|1057137|1057138|1057139|1057140|1059801|1059802|1067823|1067827|1067828|1067832|1067835|1067836|1067857|1067858|1067859|1067861|1067864|1067865|1077196|1077197|1077198|1077199|1117298|1117301|1117302|1117303|1117304|1117305|1117308|1117309|1117310|1117311|1117312|1117314|1117315|1117316|1117318|1117326|1117329|1117336|1117340|1117341|1117342|1117343|1117346|1140750|1150088|1150090|1150092|1152803|1152804|1152806|1159509|1159515|1159516|1159517|1159518|1159519|1159520|1159521|1159523|1159524|1159525|1159526|1159527|1159528|1159529|1159531|1159550|1159551|1159552|1159553|1159555|1159580|1159614|1193933|1194355|1194356|1194357|1194372|1201321|1201322|1201323|1201324|1224818|1224819|1224820|1224821|1224822|1224823|1224834|1224835|1224836|1224837|1224838|1224839|1224840|1224841|1224842|1224843|1224844|1224845|1224846|1224847|1224848|1224849|1224857|1224859|1224867|1224868|1224869|1224870|1224871|1224872|1224873|1224874|1224875|1224876|1224877|1224878|1224879|1224880|1224881|1224882|1224883|1224884|1224885|1224886|1224887|1224888|1224889|1224890|1224892|1224893|1224894|1224895|1224896|1224905|1237966|1237968|1237970|1237972|1237973|1237974|1259241|1259242|1259243|1259244|1259247|1259248|1259251|1259310|1259344|1259354|1259355|1259356|1259364|1259365|1259366|1259367|1259368|1259369|1259370|1259374|1259377|1259378|1259379|1259380|1259381|1259382|1259383|1259384|1259385|1259386|1259387|1259388|1259389|1259390|1259391|1259392|1259393|1259394|1259395|1259396|1259400|1259401|1259402|1259403|1259404|1259407|1259422|1274027|1274028|1274029|1275408|1275409|1275410|1275422|1275423|1275424|1296008|1296009|1345084|1345085|1345086|1345199|1346200|1346212|1346378|1346428|1346784|1346795|1346798|1346799|1346824|1346829|1346859|1346877|1346891|1346924|1346977|1346978|1346979|1346980|1346981|1346982|1346983|1346984|1346985|1346986|1346987|1347030|1347031|1347032|1347033|1347034|1347035|1347036|1347037|1347038|1347053|1347055|1347057|1347058|1347059|1347074|1347080|1347082|1347083|1347085|1347086|1347089|1347090|1347091|1347092|1347093|1347094|1347095|1347096|1347097|1347098|1347099|1347100|1347101|1347102|1347103|1347104|1347105|1347106|1347107|1347108|1347131|1347143|1347149|1347151|1347152|1347153|1347154|1347161|1347167|1347168|1347169|1347395|1347397|1347398|1347399|1347405|1347407|1347410|1347424|1347425|1348804|1348805|1349118|1349119|1349120|1349121|1359611|1359638|1376808|1409594|1409598|1430058|1430060|1456549|1460818|1472088|1472094|1472095|1472096|1472097|1472098|1472099|1472107|1479145|1479147|1479149|1479150|1508586|1508601|1508602|1508614|1508616|1508618|1508620|1508623|1508624|1508626|1508627|1508628|1508629|1508630|1534796|1534797|1534798|1638526|1638533|1638534|1638535|1640020|1645758|1645839|1645840|1645841|1645842|1645843|1645845|1645846|1645851|1645870|1645873|1645876|1645877|1645882|1645883|1645886|1645887|1652014|1671188|1671190|1671193|1671194|1671196|1671197|1671198|1671199|1671200|1671201|1678810|1727697|1732344|1745845|1745853|1745856|1745857|1794808|1794843|1845191|1845192|1918969|1918990|1919968|1919969|1919970|1920063|1920064|1920065|1920067|1920068
20050624
001Chemical|3B Scientific (Wuhan) Corp|3WAY PHARM INC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|Accela ChemBio Inc.|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|AHH Chemical co.,ltd|AKos Consulting & Solutions|Alfa Chemistry|Alinda Chemical|Alsachim|Amadis Chemical|Ambeed|AN PharmaTech|Anward|Ark Pharm, Inc.|AstaTech, Inc.|Aurum Pharmatech LLC|AvaChem Scientific|Axon Medchem|BenchChem|BioChemPartner|BioCrick|BLD Pharm|BOC Sciences|Boerchem|CAPOT|CCSbase|Center for Chemical Genomics, University of Michigan|Chem-Space.com Database|Chembase.cn|ChEMBL|Chemenu Inc.|ChemFaces|Chemical Carcinogenesis Research Information System (CCRIS)|chemical genetic matrix|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|ChemMol|ChemSpider|ChemTik|Chen Lab, School of Medicine, Emory University|Circadian Research, Kay Laboratory, University of California at San Diego (UCSD)|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|CSNpharm|CymitQuimica|DC Chemicals|Debye Scientific Co., Ltd|DiscoveryGate|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|Elsa Biotechnology|eMolecules|Emory University Molecular Libraries Screening Center|Enamine|EPA DSSTox|EPA Substance Registry Services|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fredberg Lab, Harvard T.H. Chan School of Public Health|Glentham Life Sciences Ltd.|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Hairui Chemical|Hangzhou APIChem Technology|Hello Bio|Hunan Chemfish Pharmaceutical Co., Ltd.|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|KEGG|Key Organics/BIONET|King Scientific|LeadScope|LEAPCHEM|LGC Standards|Life Chemicals|Mcule|MedChemexpress MCE|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Milwaukee Institute for Drug Discovery|MolCore|Molecule Market|MolMall|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NextBio|NIAID ChemDB|NINDS Approved Drug Screening Program|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|OChem|ORST SMALL MOLECULE SCREENING CENTER|Paczesny and Yang Labs, IUPUI and University of Michigan|Parchem|PATENTSCOPE (WIPO)|PDSP|Phion Ltd|Pi Chemicals|Probes & Drugs portal|PubChem Reference Collection|Rosewachem|RR Scientific|Selleck Chemicals|Sigma-Aldrich|Sinfoo Biotech|Smolecule|Springer Nature|Starshine Chemical|SureChEMBL|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Thermo Fisher Scientific|Thomson Pharma|Tocris Bioscience|Tox21|ToxPlanet|Uchem Meditech|UCLA Molecular Screening Shared Resource|University of Iowa High-Throughput Screening Core (UIHTS)|University of Kansas High Throughput Screening Laboratory|University of Pittsburgh Molecular Library Screening Center|VladaChem|VWR, Part of Avantor|Wikidata|Win-Win Chemical|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent|D018501 - Antirheumatic Agents|D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics|D002491 - Central Nervous System Agents > D000700 - Analgesics|D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents|D000893 - Anti-Inflammatory Agents|D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
3793
Sporanox
itraconazole|84625-61-6|Itrizole|Sporanox|Itraconazolum [Latin]|1217512-35-0|1-(Butan-2-yl)-4-{4-[4-(4-{[2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-4,5-dihydro-1H-1,2,4-triazol-5-one|2049588-24-9|Canditral|Traconal|Triasporin|Candistat|Itralek|Orungal|Sempera|Sporamelt|Sporonox|Itrac|MLS000863291|Spherazole CR|Spherazole IR|2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one|SMR000058959|R 51211|R-51211|2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-1,2,4-triazol-3-one|SR-01000003153|Itraconzaole|MFCD00941396|trans Itraconazole|Itraconazole,(S)|NCGC00018268-03|4-(4-(4-(4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1-sec-butyl-1H-1,2,4-triazol-5(4H)-one|84604-65-9|ITRAZOLE|2-[(1,1,1-~2~H_3_)Butan-2-yl]-4-(4-{4-[4-({2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy)phenyl]piperazin-1-yl}phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one|R51211|Opera_ID_902|R 51,211|SCHEMBL95627|MLS000028582|MLS000759472|MLS001148245|MLS001424065|CHEMBL64391|Itraconazole, >=98% (TLC)|SCHEMBL16984893|CHEBI:94366|HMS2051K14|HMS2090M20|HMS2235M11|HMS3370P13|HMS3393K14|HMS3713B16|4-(4-(4-(4-((2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-(sec-butyl)-2,4-dihydro-3H-1,2,4-triazol-3-one|BCP28497|BDBM50011478|DL-427|MFCD00870168|NSC754771|STL450986|AKOS000280875|AKOS022171690|CCG-100876|CCG-220567|NC00126|NSC-754771|NCGC00018268-02|NCGC00018268-05|NCGC00018268-06|NCGC00018268-08|NCGC00018268-14|NCGC00089812-03|4-(4-(4-(4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1-(sec-butyl)-1H-1,2,4-triazol-5(4H)-one|BI164594|SY057462|CS-0242228|I0732|EN300-246240|O11835|AB00383031-14|Itraconazole, Antibiotic for Culture Media Use Only|J-015921|Q-201261|SR-01000003153-5|SR-01000003153-6|Q27166205|Z2194031989|Itraconazole, European Pharmacopoeia (EP) Reference Standard|Itraconazole, United States Pharmacopeia (USP) Reference Standard|Itraconazole for system suitability, European Pharmacopoeia (EP) Reference Standard|Itraconazole, Pharmaceutical Secondary Standard; Certified Reference Material|(+/-)-4-[4-[4-[4-[[(2R,4S)-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one|(+/-)-cis-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]-methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(1-methylpropyl)-3h-1,2,4-triazol-3-one|2-(butan-2-yl)-4-{4-[4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
705.600
C35H38Cl2N8O4
101.000
1120.000
5.700
49
0
9
11
InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl
VHVPQPYKVGDNFY-UHFFFAOYSA-N
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
704.239
704.239
0
1
0
3
0
3
0
0
0
6604
189
74
2D+3D
Itraconazole
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
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J - Antiinfectives for systemic use > J02 - Antimycotics for systemic use > J02A - Antimycotics for systemic use > J02AC - Triazole and tetrazole derivatives|D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors|D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065692 - Cytochrome P-450 CYP3A Inhibitors|D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors|D000890 - Anti-Infective Agents > D000935 - Antifungal Agents|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
1091
Selenious Acid
SELENIOUS ACID|Selenous acid|7783-00-8|Monohydrated selenium dioxide|Selenium dioxide, monohydrated|Selenious acid (H2SeO3)|CCRIS 5530|selenige Saeure|HSDB 6065|EINECS 231-974-7|UNII-F6A27P4Q4R|UN-3283|F6A27P4Q4R|DTXSID9024300|CHEBI:26642|dihydroxidooxidoselenium|Selenious acid (USP)|Selenious acid [USP]|UN 3283|Selenium (as selenious acid)|DTXCID004300|EC 231-974-7|(SeO(OH)2)|[SeO(OH)2]|SELENIOUS ACID (MART.)|SELENIOUS ACID [MART.]|acide selenieux|MFCD00011331|Acid, Selenous|SELENIOUS ACID (USP MONOGRAPH)|SELENIOUS ACID [USP MONOGRAPH]|Acido selenioso|Acido selenio|selenige Saure|Selenous acid, 98%|Selenious acid(H2SeO3)|NCIMech_000026|SELENIOUS ACID [MI]|SELENIOUS ACID [HSDB]|SELENIOUS ACID [VANDF]|CHEMBL2009089|SELENIOUS ACID [WHO-DD]|Selenous acid, p.a., 95.0%|Selenous acid (99.999%-Se)|Tox21_200407|CCG-35433|SELENIOUS ACID [ORANGE BOOK]|AKOS015960374|DB11127|NCGC00248596-01|NCGC00257961-01|NCI60_003085|CAS-7783-00-8|NS00080941|Selenous acid, 99.999% trace metals basis|SELENIUM (AS SELENIOUS ACID) [VANDF]|D05814|Q413722
128.990
H2O3Se
57.500
26.300
null
4
2
3
0
InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)
O[Se](=O)O
O[Se](=O)O
MCAHWIHFGHIESP-UHFFFAOYSA-N
selenous acid
129.917
129.917
0
1
0
0
0
0
0
0
0
2427
6619
3675
2D
Selenious Acid
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
17
651631|651632|651633|651634|720516|720552|720634|720635|720637|720674|720675|720678|720679|720680|720681|720682|720683|720684|720685|720686|720687|720691|720692|720693|720719|720725|743012|743014|743015|743033|743035|743036|743040|743041|743042|743053|743054|743063|743064|743065|743066|743067|743069|743074|743075|743077|743078|743079|743080|743081|743083|743084|743085|743086|743091|743094|743122|743139|743140|743191|743194|743199|743202|743203|743209|743210|743211|743212|743213|743215|743217|743218|743219|743220|743221|743222|743223|743224|743225|743226|743227|743228|743239|743240|743241|743242|1159509|1159515|1159516|1159517|1159518|1159519|1159520|1159521|1159523|1159525|1159526|1159527|1159528|1159529|1159531|1159551|1159552|1159553|1159555|1224834|1224835|1224836|1224837|1224838|1224839|1224840|1224841|1224842|1224843|1224844|1224845|1224846|1224847|1224848|1224849|1224867|1224868|1224869|1224870|1224871|1224872|1224873|1224874|1224875|1224876|1224877|1224878|1224879|1224880|1224881|1224882|1224883|1224884|1224885|1224886|1224887|1224888|1224889|1224890|1224892|1224893|1224894|1224895|1224896|1259241|1259242|1259243|1259244|1259247|1259248|1259364|1259365|1259366|1259367|1259368|1259369|1259377|1259378|1259379|1259380|1259381|1259382|1259383|1259384|1259385|1259386|1259387|1259388|1259390|1259391|1259392|1259393|1259394|1259395|1259396|1259401|1259402|1259403|1259404|1259409|1346784|1346795|1346798|1346799|1346824|1346829|1346859|1346877|1346891|1346924|1346977|1346978|1346979|1346980|1346981|1346982|1347030|1347031|1347032|1347033|1347034|1347035|1347036|1347037|1347038|1347395|1347397|1347398|1347399|1671196|1671197|1671198|1671199|1671200|1671201|1919968|1919969|1919970|1920063|1920064|1920065|1920067|1920068
20040916
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|abcr GmbH|ABI Chem|Acadechem|Achemica|Achemtek|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Amadis Chemical|Ambinter|Angene Chemical|Aurora Fine Chemicals LLC|Avantor Inc|BenchChem|Bic Biotech|BioCyc|Biosynth|BLD Pharm|BOC Sciences|Boone Lab, Chemical Genomics, University of Toronto|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|ChemBank|Chembase.cn|ChEMBL|ChemDB|Chemical Carcinogenesis Research Information System (CCRIS)|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|ChemMol|ChemSpider|ChemTik|CHIRALEN|Clearsynth|Collaborative Drug Discovery, Inc.|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|Crystallography Open Database (COD)|CymitQuimica|Debye Scientific Co., Ltd|DiscoveryGate|DrugBank|DTP/NCI|EAWAG Biocatalysis/Biodegradation Database|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|eNovation Chemicals|enviPath|EPA DSSTox|EPA Substance Registry Services|EvitaChem|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fisher Chemical|FondChemical Co., Ltd|Genetic Toxicology Data Bank (GENE-TOX)|Glentham Life Sciences Ltd.|Google Patents|Hairui Chemical|Human Metabolome Database (HMDB)|Hunan Huateng Pharmaceutical Co., Ltd.|iChemical Technology USA Inc|ISpharm|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|King Scientific|Kingston Chemistry|labseeker|LeadScope|LGC Standards|Macsen Labs|Mcule|MolCore|Molecule Market|Molepedia|MolPort|MP Biomedicals|MTDP|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NextBio|NextMove Software|NIAID ChemDB|NIST Chemistry WebBook|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|Parchem|PATENTSCOPE (WIPO)|Phion Ltd|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|PubChem Reference Collection|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Sigma-Aldrich|Sinfoo Biotech|Smolecule|Springer Nature|Starshine Chemical|Strem Chemicals, Inc.|SureChEMBL|THE BioTek|Thermo Fisher Scientific|Thieme Chemistry|Thomson Pharma|Thoreauchem|Tox21|ToxPlanet|Tractus|Vesino Industrial Co., Ltd|VladaChem|VWR, Part of Avantor|Wikidata|WikiPathways|Wiley|Wilshire Technologies|Win-Win Chemical|Wubei-Biochem|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|ZeroPM - Zero Pollution of Persistent, Mobile Substances
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D018977 - Micronutrients > D014131 - Trace Elements|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
3083544
Arformoterol
Arformoterol|(R,R)-Formoterol|formoterol|67346-49-0|(-)-Formoterol|Oxis|73573-87-2|Arformoterol [INN]|eformoterol|UNII-F91H02EBWT|F91H02EBWT|Atimos|Formoterol r,r-form|Arformoterol (INN)|N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide|CHEBI:408174|Foradil|5ZZ84GCW8B|CHEMBL1363|Formoterolum|Innovair|Fluir|Racemic formoterol|Perforomist|(+-)-Formoterol|N-{2-hydroxy-5-[(1R)-1-hydroxy-2-{[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino}ethyl]phenyl}formamide|UNII-5ZZ84GCW8B|Formamide, N-(2-hydroxy-5-((1R)-1-hydroxy-2-(((1R)-2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)phenyl)-|HSDB 7287|FORMOTEROL FUMARATE|(-)-N-(2-HYDROXY-5-((1R)-1-HYDROXY-2-(((1R)-2-(4-METHOXYPHENYL)-1-METHYLETHYL)AMINO)ETHYL)PHENYL)FORMAMIDE HYDROGEN (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE|Formamide, N-(2-hydroxy-5-(1-hydroxy-2-((2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)phenyl)-, (R-(R*,R*))-|FORMOTEROL [INN]|YM-08316|arformoterolum|Formoterol [USAN:INN:BAN]|Formamide, N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(1R)-2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]-|H98|N-(2-hydroxy-5-((1R)-1-hydroxy-2-(((2R)-1-(4-methoxyphenyl)propan-2-yl)amino)ethyl)phenyl)formamide|formoterol, ((R*,R*)-(+-))-isomer|FORMOTEROL [MI]|FORMOTEROL [HSDB]|FORMOTEROL [VANDF]|SCHEMBL4247|ARFORMOTEROL [VANDF]|FORMOTEROL [WHO-DD]|ARFORMOTEROL [WHO-DD]|GTPL7479|cid_9912089|HY-B0010A|DTXSID40110071|BPZSYCZIITTYBL-YJYMSZOUSA-N|FORMOTEROL R,R-FORM [MI]|(+-)-2'-Hydroxy-5'-((RS)-1-hydroxy-2-(((RS)-p-methoxy-alpha-methylphenethyl)amino)ethyl)formanilide|FORMAMIDE, N-(2-HYDROXY-5-(1-HYDROXY-2-((2-(4-METHOXYPHENYL)-1-METHYLETHYL)AMINO)ETHYL)PHENYL)-|BDBM50151720|MFCD05662345|AKOS015969668|CS-1413|DB01274|N-{2-hydroxy-5-[(1R)-1-hydroxy-2-({(1R)-1-methyl-2-[4-(methyloxy)phenyl]ethyl}amino)ethyl]phenyl}formamide|NS00120489|D07463|D87655|EN300-174504|Q4789167|N-(2-hydroxy-5-((R)-1-hydroxy-2-((R)-1-(4-methoxyphenyl)propan-2-ylamino)ethyl)phenyl)formamide|N-(2-Hydroxy-5-{1-hydroxy-2-[2-(4-methoxy-phenyl)-1-methyl-ethylamino]-ethyl}-phenyl)-formamide|n-[2-hydroxy-5-[(1r)-1-hydroxy-2-[[(1r)-2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]formamide|rel-n-[2-hydroxy-5-[(1r)-1-hydroxy-2-[[(1r)-2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]formamide
344.400
C19H24N2O4
90.800
388.000
1.800
25
4
5
8
InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1
C[C@H](CC1=CC=C(C=C1)OC)NC[C@@H](C2=CC(=C(C=C2)O)NC=O)O
CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O
BPZSYCZIITTYBL-YJYMSZOUSA-N
N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide
344.174
344.174
0
1
0
2
2
0
0
0
0
5125
40367
7537
2D+3D
Formoterol Fumarate
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
17
1195|1060997|1060999|1159387|1159389|1159390|1159391|1159394|1159396|1346250|1346260|1589638|1589639|1589640|1760528|1760529
20050808
10X CHEM|1st Scientific|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemo Scientific Limited|Achemtek|Adooq BioScience|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Allbio Pharm Co., Ltd|Alsachim|Amadis Chemical|Ambinter|AN PharmaTech|Angene Chemical|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|BenchChem|BePharm Ltd.|BindingDB|BioCrick|Biosynth|BOC Sciences|Center for Chemical Genomics, University of Michigan|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|ChemMol|ChemShuttle|ChemSpider|Chiralblock Biosciences|CHIRALEN|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Comparative Toxicogenomics Database (CTD)|Crystallography Open Database (COD)|CymitQuimica|DiscoveryGate|DrugBank|DrugCentral|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|EvitaChem|FDA Global Substance Registration System (GSRS)|Glentham Life Sciences Ltd.|Google Patents|Hangzhou APIChem Technology|Human Metabolome Database (HMDB)|Hunan Chemfish Pharmaceutical Co., Ltd.|IBM|iChemical Technology USA Inc|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LGC Standards|Mcule|MedChemexpress MCE|Metabolomics Workbench|MLSMR|Molecule Market|Molepedia|MolPort|MuseChem|NCBI Structure|NextBio|NextMove Software|NORMAN Suspect List Exchange|Novartis Institutes for BioMedical Research|NovoSeek|OChem|OXCHEM CORPORATION|PATENTSCOPE (WIPO)|Pi Chemicals|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Prous Science Drugs of the Future|PubChem Reference Collection|RR Scientific|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|Smolecule|Springer Nature|Starshine Chemical|SureChEMBL|TargetMol|THE BioTek|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Tocris Bioscience|Tox21|ToxPlanet|Wikidata|Wubei-Biochem|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents|C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist|R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists|D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists|D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents|R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrials, clinicaltrial
6076
Adenosine cyclic phosphate
Cyclic AMP|cAMP|60-92-4|Adenosine 3',5'-cyclic monophosphate|3',5'-cyclic AMP|Adenosine 3',5'-cyclophosphate|Adenosine 3',5'-phosphate|cyclic 3',5'-AMP|Adenosine cyclic monophosphate|Cyclic Adenosine Monophosphate|cyclic 3',5'-Adenylic acid|Adenosine 3',5'-monophosphate|Adenosine-3',5'-cyclophosphate|cyclic Adenosine 3',5'-phosphate|Adenosine cyclic 3',5'-monophosphate|Cyclic adenylic acid|3',5'-AMP|Adenosine 3',5'-cyclic phosphate|Adenosine cyclic 3',5'-phosphate|Adenosine, cyclic 3',5'-(hydrogen phosphate)|cyclic Adenosine 3',5'-monophosphate|CCRIS 4291|Adenosine cyclic phosphate|Adenosine cyclophosphate|NSC 94017|adenosine-3',5'-cyclic-monophosphate|CHEBI:17489|BRN 0052645|[3H]cAMP|[3H]-cAMP|EINECS 200-492-9|UNII-E0399OZS9N|Adenosine 3',5'-phosphate monohydrate|E0399OZS9N|3',5'-cAMP|DTXSID8040436|cyclic-AMP|adenosine-3',5'-cyclic monophosphate|adenosine-cyclic-phosphate|adenosine cyclic-monophosphate|3' 5'-adenosine monophosphate|CHEMBL316966|adenosine-cyclic-phosphoric-acid|114697-05-1|DTXCID6020436|ADENOSINUM CYCLOPHOSPHORICUM|4-26-00-03618 (Beilstein Handbook Reference)|MFCD00005845|NSC-143670|(4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihydroxy-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-2-one|(4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol|adenosine 3',5'-(hydrogen phosphate)|NCGC00093588-03|Adenosine 3,5'-cyclic monophosphoric acid|Adenosine cyclic 3',5'-(hydrogen phosphate)|adenosine cyclic-3',5'-monophosphate|3',5'-Monophosphate, Adenosine Cyclic|ADENOSINE CYCLIC-3',5'-(HYDROPHOSPHATE)|ADENOSINE-3':5'-CYCLIC MONOPHOSPHORIC ACID (3:5-CYCLIC AMP)|NSC-94017|adenosine-3',5'-monophosphate|AMP, Cyclic|cyclic-3',5'-adenosine monophosphate|Adenosine cyclicphosphate|Adenosine-3',5'-cyclic phosphate|Cyclic Monophosphate, Adenosine|Monophosphate, Adenosine Cyclic|CAS-60-92-4|Adenosine Cyclic 3,5 Monophosphate|Adenosine Cyclic 3',5' Monophosphate|Cyclic 3',5'-Monophosphate, Adenosine|Cyclic-3',5'-Monophosphate, Adenosine|3'5'-cyclic AMP|CYCLIC AMP; CAMP|CYCLIC AMP [MI]|Cyclic 3',5'-adenylate|bmse000071|Epitope ID:137352|SCHEMBL1244|Adenosini Cycloghosghas,(S)|Lopac0_000084|3'5'-cyclic ester of AMP|CYCLIC AMP [WHO-DD]|GTPL2352|GTPL5096|cAMP; 3',5'-Cyclic AMP|BDBM10851|cid_23902375|HMS3260A10|HY-B1511|Tox21_113510|Tox21_500084|Adenosine-3',5'-cyclicmonophosphate|BDBM50384264|s9370|Adenosine 3',5'-cyclophosphoric acid|Adenosine 3':5'-cyclic monophosphate|Adenosine 3,5'-cyclic monophosphorate|Adenosine Cyclic 3':5'-Monophosphate|AKOS015999561|Tox21_113510_1|3', 5'-cyclic adenosine monophosphate|Adenosine 3'-,5'-cyclic monophosphate|CCG-204179|DB02527|LP00084|SDCCGSBI-0050072.P002|Adenosine 3a(2),5a(2)-cyclophosphate|ADENOSINE CYCLIC PHOSPHATE [INCI]|Adenosine-3',5'-cyclophosphate (cAMP)|NCGC00093588-01|NCGC00093588-02|NCGC00093588-04|NCGC00093588-06|NCGC00260769-01|AS-13112|ADENOSINUM CYCLOPHOSPHORICUM [HPUS]|Adenosine, 3',5'-cyclic-monophosphoric acid|CS-0013299|EU-0100084|NS00122387|ADENOSINE-3 ,5 -CYCLIC-MONOPHOSPHATE|A 9501|A51099|C00575|Q210041|SR-01000075695|CYCLIC-3',5'-(HYDROGEN PHOSPHATE)ADENOSINE|SR-01000075695-1|4H-Furo[3,2-d]-1,3,2-dioxaphosphorin, adenosine deriv.|B5C9F048-77DD-4170-A624-23C09E7B080D|Adenosine 3',5'-cyclic monophosphate, >=98.5% (HPLC), powder|CAMP;Adenosine 3 inverted exclamation marka,5 inverted exclamation marka-cyclic monophosphat|(1S,6R,8R,9R)-8-(6-aminopurin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol|(2R,4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide|(4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihydroxy-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2]dioxaphosphinin-2-one|(4aR,6R,7R,7aS)-6-(6-Amino-9H-purin-9-yl)-2,7-dihydroxytetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide|(4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide|(4aR,6R,7R,7aS)-6-(6-Aminopurin-9-yl)-2-oxo-tetrahydro-2-lambda*5*-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol|4H-furo[3,2-d]-1,3,2-dioxaphosphorin-7-ol, 6-(6-amino-9H-purin-9-yl)tetrahydro-2-hydroxy-, 2-oxide, (4aR,6R,7R,7aS)-|6-(6-Amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide #
329.210
C10H12N5O6P
155.000
498.000
-2.600
22
3
10
1
InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O
C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O
IVOMOUWHDPKRLL-KQYNXXCUSA-N
(4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
329.053
329.053
0
1
0
4
4
0
0
0
0
72899
138319
37841
2D+3D
Cyclic AMP
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
17
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20050608
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6022
Adenosine-5'-diphosphate
Adenosine 5'-diphosphate|Adenosine diphosphate|58-64-0|adenosine-5'-diphosphate|ADP|Adenosine 5'-(trihydrogen diphosphate)|adenosine pyrophosphate|5'-Adp|adenosine 5'-pyrophosphate|ADP (nucleotide)|5'-Adenylphosphoric acid|Adenosindiphosphorsaeure|Adenosine 5'-pyrophosphoric acid|Adenosine-5'-diphosphat|Adenosine 5'-diphosphoric acid|Adenosine diphosphoric acid|Ado-5'-P-P|H3adp|110123-09-6|BRN 0067722|CHEBI:16761|adenosine 5' diphosphate|ADENOSINE, 5'-(TRIHYDROGEN PYROPHOSPHATE)|61D2G4IYVH|adenosine-5-diphosphate|CHEMBL14830|[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate|20398-34-9|Adenosine-5'-Diphosphate, free acid|1,4-Cyclohexadiene-3,3,6,6-d4|MFCD00066473|Dynorphin A (1-13), ala(2)-trp(4)-|((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate|104746-05-6|11062-03-6|112360-08-4|17791-27-4|4-(3-Carboxytrimethyleneoxy)-4/'/'-octylazobenzene|Adenosine disphosphate|[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid|Adenosine diphosphate;ADP|Adenosine 5'-diphosphate sodium salt|C10H15N5O10P2|EINECS 200-392-5|UNII-61D2G4IYVH|1amw|1lkx|1ucn|1xxi|1yrs|2bfr|a-ADP|1ao0|1e8h|1hi5|1o0h|1oz4|1t3t|1y8o|Adenosine5'-diphosphate|ADP.H2|bmse000004|bmse000935|bmse000991|Epitope ID:137351|adenosine 5 inverted exclamation marka-diphosphate|Adenosine Diphosphate (ADP)|SCHEMBL24103|Adenosine diphosphate (6CI)|4-26-00-03629 (Beilstein Handbook Reference)|GTPL1712|SCHEMBL18076199|BDBM31995|DTXSID60883210|1m74|2c02|ADENOSINE DIPHOSPHATE [MI]|BDBM50368125|PDSP1_001088|PDSP2_001072|s9368|ADENOSINE DIPHOSPHATE [WHO-DD]|AKOS022179933|CCG-268971|CS-W011634|HY-W010918|s10970|Adenosine, 5'-(trihydrogen diphosphate)|NCGC00163322-01|AC-32145|AS-11755|BP-58727|DB-022410|Adenosine 5'-diphosphate, >=95% (HPLC)|NS00014781|Adenosine diphosphate;Adenosine 5'-diphosphate|Adenosine 5'-(trihydrogen diphosphate) (9CI)|C00008|Adenosine 5'-(trihydrogen pyrophosphate) (8CI)|EN300-1588520|Q185253|J-700143|9-{5-O-[hydroxy(phosphonooxy)phosphoryl]-b-D-glycero-pentofuranosyl}-9H-purin-6-amine|9H-Purin-6-amine, 9-[5-O-[hydroxy(phosphonooxy)phosphinyl]-.beta.-D-ribofuranosyl]-|9H-purin-6-amine, 9-[5-O-[hydroxy(phosphonooxy)phosphinyl]-beta-D-glycero-pentofuranosyl]-|[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
427.200
C10H15N5O10P2
233.000
638.000
-4.600
27
6
14
6
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
XTWYTFMLZFPYCI-KQYNXXCUSA-N
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
427.029
427.029
0
1
0
4
4
0
0
0
0
35652
48995
15741
2D+3D
Adenosine Diphosphate
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
17
880|1030|1457|1458|1460|1463|1468|1469|1471|1477|1479|1490|1811|1865|2101|2107|2112|2517|2549|54140|70544|77349|77352|77360|88903|90064|91204|91216|91555|91556|91557|91558|146705|150151|150166|150170|150172|150321|150470|150495|152476|152489|155650|155653|162978|162984|162985|162990|162991|163119|167868|167870|167875|196094|196095|196096|198128|219831|227514|227517|250016|250020|250031|253000|253001|253002|266546|266547|269131|269135|269136|270492|271163|271168|271169|271171|325369|325372|325375|325378|330929|373705|393506|393507|393511|440574|440577|440581|440582|440583|440584|440585|461575|462811|485281|485290|504327|504332|504845|504847|512991|512992|527446|527447|527454|527455|588579|600785|600786|600787|600788|602332|686978|686979|705925|705933|705934|717236|720532|720533|720579|720580|728305|728308|751199|751207|751209|751210|751212|751213|767747|767748|767749|767750|767751|767752|767753|767754|977608|977610|977611|1065915|1137665|1159524|1172275|1172276|1199498|1199499|1199500|1199502|1199503|1199504|1199505|1199506|1199507|1199508|1199509|1199510|1199511|1199512|1199513|1199514|1199515|1199516|1199517|1256110|1256111|1256112|1256114|1256116|1256117|1256118|1256124|1256125|1256126|1256127|1256128|1256129|1256132|1286110|1310291|1321587|1332249|1346305|1346309|1346320|1346426|1346599|1347131|1347142|1347144|1347145|1347154|1359623|1359624|1390102|1390105|1409135|1424767|1424768|1436866|1436867|1452126|1452127|1452129|1508630|1605340|1605341|1640020|1645758|1645882|1645883|1645886|1645887|1671190|1691289|1799195|1799196|1845229|1845230
20040916
001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|Acadechem|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Alichem|Alsachim|Amadis Chemical|Ambeed|Ambinter|Apexmol|AstaTech, Inc.|Aurora Fine Chemicals LLC|Avantor Inc|BenchChem|BePharm Ltd.|Bic Biotech|BIND|BindingDB|BioCyc|Biological Magnetic Resonance Data Bank (BMRB)|Biosynth|BLD Pharm|BOC Sciences|BroadPharm|Burnham Center for Chemical Genomics|CCSbase|Center for Chemical Genomics, University of Michigan|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemExper Chemical Directory|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|CHIRALEN|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|CSNpharm|CymitQuimica|DC Chemicals|Debye Scientific Co., Ltd|DiscoveryGate|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|EvitaChem|FDA Global Substance Registration System (GSRS)|Founder Pharma|Glentham Life Sciences Ltd.|Golm Metabolome Database (GMD), Max Planck Institute of Molecular Plant Physiology|Google Patents|Hangzhou APIChem Technology|Human Metabolome Database (HMDB)|IBM|iChemical Technology USA Inc|Immune Epitope Database (IEDB)|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Keith Lab, Institute of Cancer Science, University of Glasgow|Key Organics/BIONET|labseeker|LeadScope|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Molecular Imaging Database (MOLI)|Molecule Market|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Chemical Biology|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|OChem|OXCHEM CORPORATION|PATENTSCOPE (WIPO)|Phion Ltd|Pi Chemicals|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Shanghai Institute of Organic Chemistry|Sigma-Aldrich|Sinfoo Biotech|SMID|Smolecule|Springer Nature|Starshine Chemical|SureChEMBL|Synthonix, Inc.|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|Therapeutic Target Database (TTD)|Thermo Fisher Scientific|Thieme Chemistry|Thomson Pharma|Thoreauchem|TimTec|ToxPlanet|VladaChem|VWR, Part of Avantor|W&J PharmaChem|Wikidata|WikiPathways|Wiley|Wubei-Biochem|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
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COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map, PDB, Protein Data Bank
3410
Formoterol
formoterol|73573-87-2|128954-45-0|Formoterolum [INN-Latin]|eformoterol|Oxeze/Oxis|n-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide|Formoterolum|Foradil|N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide|Innovair|Fluir|FORMOTEROL FUMARATE|CHEBI:63082|Racemic formoterol|Formoterol (INN)|(+-)-Formoterol|Formoterolum (INN-Latin)|UNII-5ZZ84GCW8B|HSDB 7287|2'-hydroxy-5'-(1-hydroxy-2-((p-methoxy-alpha-methylphenethyl)amino)ethyl)formanilide|2'-hydroxy-5'-{1-hydroxy-2-[(p-methoxy-alpha-methylphenethyl)amino]ethyl}formanilide|N-[2-hydroxy-5-(1-hydroxy-2-{[2-(4-methoxyphenyl)-1-methylethyl]amino}ethyl)phenyl]formamide|Formamide, N-[2-hydroxy-5-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]-, [R-(R*,S*)]-|Formamide, N-[2-hydroxy-5-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]-, [S-(R*,S*)]-|Oxis (TN)|DTXSID1023077|BD-40A|(+-)-2'-Hydroxy-5'-((RS)-1-hydroxy-2-(((RS)-p-methoxy-alpha-methylphenethyl)amino)ethyl)formanilide|n-[2-hydroxy-5-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]formamide|rel-N-|CGP-25827A|NCGC00181126-01|SCHEMBL349579|CHEBI:5147|GTPL3465|3-formylamino-4-hydroxy-alpha-|CHEMBL1256786|DTXCID4065311|SCHEMBL15856256|BDBM86453|DTXSID20860603|R03AC13|(+/-)-2'-hydroxy-5'-|BPZSYCZIITTYBL-UHFFFAOYSA-N|FORMAMIDE, N-(2-HYDROXY-5-(1-HYDROXY-2-((2-(4-METHOXYPHENYL)-1-METHYLETHYL)AMINO)ETHYL)PHENYL)-|AC-459|STL450992|AKOS015961179|AT22502|DB00983|SB17482|NSC_3083544|AS-14186|CAS_73573-87-2|NS00008796|C07805|D07990|EN300-7480042|L000259|Q637247|126587-85-7|N-(2-hydroxy-5-((1RS)-1-hydroxy-2-(((2RS)-1-(4-methoxyphenyl)propan-2-yl)amino)ethyl)phenyl)formamide|N-[2-hydroxy-5-[(1rs)-1-hydroxy-2-[[(1rs)-2(4methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl] formamide
344.400
C19H24N2O4
90.800
388.000
1.800
25
4
5
8
InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)
CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O
CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O
BPZSYCZIITTYBL-UHFFFAOYSA-N
N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide
344.174
344.174
0
1
0
2
0
2
0
0
0
2033
659
208
2D+3D
Formoterol Fumarate
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
17
1471|1490|1688|1766|1768|2062|2528|2546|2551|2662|236903|238673|248534|251147|414891|414892|414893|414894|414895|414916|414917|414918|414919|415158|438906|438907|438908|438909|438910|447901|447902|447903|447904|447907|447908|447910|447911|447912|447913|481512|481513|481516|481517|481519|481520|481521|481523|481524|481525|492961|501435|501436|501437|501438|504327|504332|504749|504832|504834|504847|504865|510458|510459|510460|510462|521220|524790|524792|524795|524796|578408|578409|588579|602332|606103|606106|609371|609372|609373|609375|609376|609377|609378|609380|609382|611145|611146|611147|611234|611235|611236|611237|611238|611239|624030|624031|624032|624044|624170|624172|624173|624296|624297|625279|625280|625281|625282|625283|625284|625285|625286|625287|625288|625289|625290|625291|625292|643219|643231|643235|643243|643244|643245|643246|770362|770364|1097336|1137772|1137773|1137783|1137784|1137785|1137786|1137807|1137808|1152883|1152884|1152885|1152886|1152887|1152888|1152890|1152891|1152892|1152893|1152894|1185817|1185818|1185819|1185820|1185821|1185822|1224049|1224050|1224051|1224052|1224053|1224054|1224055|1272365|1298705|1298708|1298712|1346212|1346250|1409605|1458045|1458047|1458057|1458059|1458062|1640020|1645758
20050325
10X CHEM|3WAY PHARM INC|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|abcr GmbH|ABI Chem|AbMole Bioscience|Acadechem|Achemtek|Acmec Biochemical|ACT Chemical|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|AlchemyPharm|Alfa Chemistry|Alsachim|Ambinter|AN PharmaTech|Angel Pharmatech Ltd.|Angene Chemical|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|AvaChem Scientific|BenchChem|BindingDB|BioChemPartner|Biocore|BioCrick|BOC Sciences|Boerchem|CAPOT|CCSbase|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|ChemDB|Chemenu Inc.|ChemFish Tokyo Co., Ltd.|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemSpider|ChemTik|Clearsynth|Collaborative Drug Discovery, Inc.|Cooke Chemical Co., Ltd|CymitQuimica|DiscoveryGate|DrugBank|DrugCentral|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eInhibitors|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|EvitaChem|Finetech Industry Limited|Glentham Life Sciences Ltd.|GLIDA, GPCR-Ligand Database|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Hairui Chemical|Hangzhou APIChem Technology|Human Metabolome Database (HMDB)|Hunan Chemfish Pharmaceutical Co., Ltd.|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|Innovapharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|KEGG|Key Organics/BIONET|King Scientific|Lan Pharmatech|LEAPCHEM|LGC Standards|MassBank of North America (MoNA)|Mcule|MLSMR|MolCore|Molecule Market|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NextBio|NextMove Software|NORMAN Suspect List Exchange|Novartis Institutes for BioMedical Research|NovoSeek|OChem|Parchem|PATENTSCOPE (WIPO)|Pi Chemicals|Probes & Drugs portal|PubChem Reference Collection|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Small Molecule Screening Facility, UW Madison|Smolecule|Springer Nature|Starshine Chemical|SureChEMBL|Synblock Inc|THE BioTek|Therapeutic Target Database (TTD)|Thomson Pharma|ToxPlanet|Tractus|University of Kansas High Throughput Screening Laboratory|Vesino Industrial Co., Ltd|Vitas-M Laboratory|Wikidata|Wuhan Atomole Chemicals Co., Ltd.|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents|C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist|R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists|D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists|D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents|R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
6917
N-Vinyl-2-pyrrolidone
N-VINYL-2-PYRROLIDONE|88-12-0|1-vinylpyrrolidin-2-one|1-Vinyl-2-pyrrolidone|N-Vinylpyrrolidone|9003-39-8|1-Vinyl-2-pyrrolidinone|N-Vinyl-2-pyrrolidinone|Povidone|Vinylpyrrolidone|1-ethenylpyrrolidin-2-one|N-Vinylpyrrolidinone|2-Pyrrolidinone, 1-ethenyl-|25249-54-1|1-Vinylpyrrolidone|Pvpp|Vinylbutyrolactam|Vinylpyrrolidinone|V-Pyrol|Luviskol|Plasdone|1-Vinylpyrrolidinone|Vinyl-2-pyrrolidone|N-Vinyl pyrrolidone|1-Ethenyl-2-pyrrolidinone|N-Vinylpyrrolidone-2|1-Vinyl-2-pyrrolidinone, monomer|2-Pyrrolidinone, 1-vinyl-|PVP|NSC 10222|MPK 90|PVP 40|DTXSID2021440|143 RP|AT 717|1-vinyl-pyrrolidin-2-one|Crospovidone ~40,000|K 15|K 90|PVP-40|CHEBI:82551|MFCD00003197|NSC-10222|76H9G81541|DTXCID101440|WLN: /T5NVTJ AY*1*/|MFCD01076626|CAS-88-12-0|K 25|K 115|HSDB 7231|EINECS 201-800-4|BRN 0110513|CCRIS 8581|vinyl pyrrolidone|UNII-76H9G81541|N-vinyl-pyrrolidone|N -vinylpyrrolidinone|1-vinyl-2-pyrrolidon|POVIDONE MONOMER|VINYLBUTYLOLACTAM|N-vinylpyrrolidin-2-one|?N-Vinyl-2-pyrrolidone|N-vinyl pyrrolidin-2-one|N-vinyl-pyrrolidin-2-one|EC 201-800-4|SCHEMBL10869|WLN: T5NVTJ A1U1|PVP-K30|POVIDONE MONOMER [MI]|USP grade,cross-linked,powder|VINYL PYRROLIDONE (VP)|CHEMBL1878943|N-VINYL PYRROLIDONE [INCI]|NSC10222|Tox21_202462|Tox21_300073|NSC114022|NSC142693|NSC683040|Polyvinylpyrrolidone (MW ~40,000)|AKOS000119985|N-VINYL-2-PYRROLIDONE [IARC]|AT18510|CS-W020981|FG-0420|NSC-114022|NSC-142693|NSC-683040|NCGC00166252-01|NCGC00166252-02|NCGC00166252-03|NCGC00254200-01|NCGC00260011-01|2-PYRROLIDINONE, 1-ETHENYL- [HSDB]|NS00002538|V0026|88-12-0; 9003-39-8 (homopolymer)|EN300-19745|C19548|A817742|A843417|Q420628|SR-01000944531|J-015891|SR-01000944531-1|W-100417|1-Vinyl-2-pyrrolidinone, SAJ first grade, >=99.0%|F8881-5579|Z104475034|3-CHLORO-5,6-DIFLUORO-1-BENZOTHIOPHENE-2-CARBONYLCHLORIDE|InChI=1/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H|1-Vinyl-2-pyrrolidinone, contains sodium hydroxide as inhibitor, >=99%|1-Vinyl-2-pyrrolidinone, Pharmaceutical Secondary Standard; Certified Reference Material|1-Vinyl-2-pyrrolidone (stabilized with N,N'-Di-sec-butyl-p-phenylenediamine)
111.140
C6H9NO
20.300
120.000
0.400
8
0
1
1
InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2
C=CN1CCCC1=O
C=CN1CCCC1=O
WHNWPMSKXPGLAX-UHFFFAOYSA-N
1-ethenylpyrrolidin-2-one
111.068
111.068
0
1
0
0
0
0
0
0
0
5857
262916
90853
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar
17
155|157|161|165|167|175|179|186|188|248|256|330|1189|1194|1205|1208|1469|1479|1490|1766|1768|2101|2107|2112|2314|2315|2451|2472|2517|2528|2546|2549|2551|485281|485290|504327|504370|504374|504375|504847|588579|602332|651631|651632|651633|651634|720516|720532|720533|720552|720634|720635|720637|720674|720675|720678|720679|720680|720681|720682|720683|720684|720685|720686|720687|720691|720692|720693|720719|720725|743012|743014|743015|743033|743035|743036|743040|743041|743042|743053|743054|743063|743064|743065|743066|743067|743069|743074|743075|743077|743078|743079|743080|743081|743083|743084|743085|743086|743091|743094|743122|743139|743140|743191|743194|743199|743202|743203|743209|743210|743211|743212|743213|743215|743217|743218|743219|743220|743221|743222|743223|743224|743225|743226|743227|743228|743239|743240|743241|743242|1159509|1159515|1159516|1159517|1159518|1159519|1159520|1159521|1159523|1159525|1159526|1159527|1159528|1159529|1159531|1159551|1159552|1159553|1159555|1224834|1224835|1224836|1224837|1224838|1224839|1224840|1224841|1224842|1224843|1224844|1224845|1224846|1224847|1224848|1224849|1224867|1224868|1224869|1224870|1224871|1224872|1224873|1224874|1224875|1224876|1224877|1224878|1224879|1224880|1224881|1224882|1224883|1224884|1224885|1224886|1224887|1224888|1224889|1224890|1224892|1224893|1224894|1224895|1224896|1259241|1259242|1259243|1259244|1259247|1259248|1259251|1259364|1259365|1259366|1259367|1259368|1259369|1259377|1259378|1259379|1259380|1259381|1259382|1259383|1259384|1259385|1259386|1259387|1259388|1259390|1259391|1259392|1259393|1259394|1259395|1259396|1259401|1259402|1259403|1259404|1259411|1346784|1346795|1346798|1346799|1346824|1346829|1346859|1346877|1346891|1346924|1346977|1346978|1346979|1346980|1346981|1346982|1347030|1347031|1347032|1347033|1347034|1347035|1347036|1347037|1347038|1347395|1347397|1347398|1347399|1671196|1671197|1671198|1671199|1671200|1671201|1745844|1794731|1794732|1794733|1794735|1794736|1794738|1794739|1794740|1794742|1794745|1794746|1794748|1794750|1794751|1794752|1794753|1794754|1794755|1794756|1794757|1794758|1794759|1794760|1794761|1794763|1794764|1794765|1794766|1794767|1794768|1794769|1794771|1794772|1794773|1794774|1794775|1794776|1794777|1794778|1794779|1794780|1794781|1794782|1794783|1794784|1794785|1794786|1794787|1794788|1794789|1794790|1794792|1794793|1794794|1794795|1794796|1794798|1794799|1794800|1919968|1919969|1919970|1920063|1920064|1920065|1920067|1920068
20050326
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|Acadechem|Achemica|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Adooq BioScience|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Alichem|Amadis Chemical|Ambeed|Ambinter|AmicBase - Antimicrobial Activities|AN PharmaTech|Angene Chemical|Anward|Ark Pharm, Inc.|AstaTech, Inc.|Aurora Fine Chemicals LLC|BenchChem|BePharm Ltd.|Bic Biotech|BioChemPartner|Biocore|Biosynth|BLD Pharm|BOC Sciences|CAPOT|Carcinogenic Potency Database (CPDB)|Career Henan Chemical Co|CD Formulation|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|ChemDB|Chemenu Inc.|ChemExper Chemical Directory|Chemical Carcinogenesis Research Information System (CCRIS)|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|ChemMol|ChemSpider|ChemTik|China MainChem Co., Ltd|CHIRALEN|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|Crystallography Open Database (COD)|CymitQuimica|DiscoveryGate|DSL Chemicals|DTP/NCI|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eInhibitors|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|EvitaChem|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Glentham Life Sciences Ltd.|Google Patents|Hairui Chemical|Human Metabolome Database (HMDB)|Hunan Chemfish Pharmaceutical Co., Ltd.|Hunan Huateng Pharmaceutical Co., Ltd.|IBM|iChemical Technology USA Inc|Infinium PharmaChem Pvt Ltd|ISpharm|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LeadScope|LEAPCHEM|LGC Standards|Life Chemicals|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MolCore|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Chemistry|NextBio|NextMove Software|NIAID ChemDB|NIST Chemistry WebBook|NIST Mass Spectrometry Data Center|NMRShiftDB|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|OtavaChemicals|OXCHEM CORPORATION|Parchem|PATENTSCOPE (WIPO)|Phion Ltd|Probes & Drugs portal|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Sigma-Aldrich|Sinfoo Biotech|SLING Consortium|Smolecule|Springer Nature|SpringerMaterials|Starshine Chemical|SureChEMBL|SynQuest Laboratories|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Thermo Fisher Scientific|Thieme Chemistry|Thomson Pharma|Thoreauchem|Tox21|ToxPlanet|Tractus|Vesino Industrial Co., Ltd|VladaChem|VWR, Part of Avantor|Wikidata|Wiley|Wubei-Biochem|Wutech|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC|Zjartschem
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6131
5'-Cytidylic acid
5'-CYTIDYLIC ACID|63-37-6|Cytidine 5'-monophosphate|cytidylic acid|Cytidine monophosphate|Cytidine-5'-monophosphate|5'-CMP|cytidylate|Cytidine 5'-phosphate|CMP (nucleotide)|Cytidine 5'-phosphoric acid|Cytidine 5'-monophosphoric acid|((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate|Cytidine 5'-(dihydrogenphosphate)|CMP|cytidine-P|cytidine-phosphate|Cytidine 3'-(dihydrogen phosphate)|1beta-Ribofuranosylcytosine 5'-phosphate, d-|C-5'-P|CHEBI:17361|MFCD00006544|Cytidine 5'-monophosphate, free acid|CHEMBL307679|[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate|DTXSID50889322|5'-Cytidylic acid (8CI,9CI)|[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate|{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid|Cytidine, mono(dihydrogen phosphate) (ester)|F469818O25|2(1H)-pyrimidinone, 4-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-|Cytidine-5' Monophosphate|cytidine-monophosphate|C5P|5'-CYTIDYLIC ACID (USP-RS)|5'-CYTIDYLIC ACID [USP-RS]|C9H14N3O8P|EINECS 200-556-6|BRN 0046982|5-cytidylate|5-Cytidylic acid|UNII-F469818O25|cytidine mono phosphate|CytidylsA currencyure a|cytidine 5''-phosphate|Cytidine 5'-phosphorate|5'-CYTIDYLICACID|Cytidine 5 -monophosphate|bmse000311|Epitope ID:196257|Cytidine 5'-monophosphorate|3H-Cytidin-5'-monophosphat|SCHEMBL16189|4-25-00-03673 (Beilstein Handbook Reference)|Cytidine 5a(2)-monophosphate|CYTIDYLIC ACID [WHO-DD]|CYTOSINE 5'-MONOPHOSPHATE|5'-CYTIDYLIC ACID [FCC]|DTXCID701028585|Cytidine mono(dihydrogen phosphate)|CYTIDINE-5''-MONOPHOSPHATE|AMY30020|BDBM50310540|s5374|AKOS015854843|AKOS015888565|Cytidine 5'-monophosphate (5'-CMP)|CCG-267735|CS-W009878|DB03403|HY-W009162|AC-32139|AS-56853|BP-58604|C25|SY030157|5,(S)|C1675|C00055|W18546|EN300-7376706|A820633|Q412622|Cytidine 5 inverted exclamation mark -Monophosphate|Q-101433|B755C4F3-3D29-45E0-9432-16F902ABCFE1|5'-Cytidylic acid; Cytidine monophosphate, Cytidine 5'-phosphate|5'-Cytidylic acid, United States Pharmacopeia (USP) Reference Standard|Cytidine 5'-monophosphate, Sigma Grade, >=99% (HPLC), synthetic, powder|((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl dihydrogen phosphate|FN5|Phosphoric acid mono-[5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester
323.200
C9H14N3O8P
175.000
531.000
-3.400
21
5
8
4
InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O
IERHLVCPSMICTF-XVFCMESISA-N
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
323.052
323.052
0
1
0
4
4
0
0
0
0
1717
45391
15454
2D+3D
Cytidine Monophosphate
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
17
38074|43713|74254|74259|98043|98676|99156|99187|101082|101083|146812|146814|146818|218818|218819|227718|229265|278934|278935|415022|469221|469222|469224|469225|469227|469228|469230|469231|707245|707246|707247
20040916
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|Acadechem|Accela ChemBio Inc.|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Activate Scientific|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Alichem|Allbio Pharm Co., Ltd|Amadis Chemical|Ambeed|Ambinter|AN PharmaTech|Angene Chemical|Anward|Apexmol|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|BenchChem|BePharm Ltd.|BerrChemical|Bic Biotech|BIND|BindingDB|BioCyc|Biological Magnetic Resonance Data Bank (BMRB)|Biosynth|BLD Pharm|BOC Sciences|BroadPharm|CCSbase|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|Chemenu Inc.|ChemExper Chemical Directory|ChemFaces|Chemical Carcinogenesis Research Information System (CCRIS)|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|Clinivex|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|CymitQuimica|DC Chemicals|DiscoveryGate|DrugBank|DSL Chemicals|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|EvitaChem|FDA Global Substance Registration System (GSRS)|FondChemical Co., Ltd|Founder Pharma|Glentham Life Sciences Ltd.|Golm Metabolome Database (GMD), Max Planck Institute of Molecular Plant Physiology|Google Patents|Hangzhou APIChem Technology|Hangzhou Trylead Chemical Technology|Human Metabolome Database (HMDB)|IBM|iChemical Technology USA Inc|Immune Epitope Database (IEDB)|ISpharm|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KCS Online|KEGG|Key Organics/BIONET|King Scientific|Kingston Chemistry|labseeker|Lan Pharmatech|LeadScope|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Molecule Market|Molepedia|MolPort|MuseChem|Nature Chemical Biology|Nature Chemistry|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|OChem|OXCHEM CORPORATION|Parchem|PATENTSCOPE (WIPO)|Phion Ltd|Pi Chemicals|Probes & Drugs portal|Prof. Malboobi, Plant Biotechnology Lab, National Institute of Genetic Engineering and Biotechnology|Protein Data Bank in Europe (PDBe)|PubChem Reference Collection|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|Sinfoo Biotech|SMID|Smolecule|Springer Nature|SpringerMaterials|Starshine Chemical|SureChEMBL|Syntech Labs|Synthonix, Inc.|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Thoreauchem|TimTec|ToxPlanet|Tractus|VladaChem|W&J PharmaChem|Wikidata|WikiPathways|Wiley|Wilshire Technologies|Win-Win Chemical|Wubei-Biochem|Wutech|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
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COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from WikiPathways
92786
Brexanolone
Allopregnanolone|516-54-1|Brexanolone|Allotetrahydroprogesterone|Allopregnan-3alpha-ol-20-one|SAGE-547|Zulresso|3alpha-hydroxy-5alpha-pregnan-20-one|3alpha-OH DHP|3alpha,5alpha-THP|5alpha-Pregnan-3alpha-ol-20-one|3-alpha,5-alpha-Pregnanolone|brexanolona|brexanolonum|3alpha-Hydroxy-5alpha-dihydroprogesterone|SGE-102|3a,5a-THP|(3alpha,5alpha)-3-hydroxypregnan-20-one|UNII-S39XZ5QV8Y|S39XZ5QV8Y|3-alpha,5-alpha-Tetrahydroprogesterone|BRN 3211363|Brexanolone [USAN]|3-alpha-Hydroxy-5-alpha-pregnan-20-one|3a-Hydroxy-5a-pregnan-20-one|CHEBI:50169|3alpha,5alpha-tetrahydroprogesterone|SAGE547|CHEMBL207538|5-alpha-Pregnan-20-one, 3-alpha-hydroxy-|4-08-00-00664 (Beilstein Handbook Reference)|Pregnan-20-one, 3-hydroxy-, (3-alpha,5-alpha)-|1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone|Allopregnan-3a-ol-20-one|1-((3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethan-1-one|3?-hydroxy-5?-pregnan-20-one|Allopregnan-3.alpha.-ol-20-one|1-[(1S,3aS,3bR,5aS,7R,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethan-1-one|Allopregnanolone(Brexanolone)|(3alpha)-Allopregnanolone|Allopregnalone|Pregnan-20-one, 3-hydroxy-, (3a,5a)-|3alpha-hydroxy-5alpha-pregnane-20-one|Zulresso (TN)|Y4B|3a,5a-Pregnanolone|3alpha-OH-DHP|(3a)-Allopregnanolone|BREXANOLONE [INN]|3-a-tetrahydroprogesterone|Brexanolone (USAN/INN)|Pregnan-20-one, 3-hydroxy-, (3.alpha.,5.alpha.)-|Biomol-NT_000266|3a,5a-Tetrahydroprogesterone|BIDD:PXR0069|5a-Pregnan-3a-ol-20-one|BREXANOLONE [WHO-DD]|3-alpha-tetrahydroprogesterone|5a-Pregnane-3a-ol-20-one|SCHEMBL588060|BPBio1_000728|GTPL4108|3a-Hydroxy-5a-pregnane-20-one|Allopregnan-3I+/--ol-20-one|BREXANOLONE [ORANGE BOOK]|3a-Hydroxy-5a-dihydroprogesterone|5|A-Pregnan-3|A-Ol-20-One|AURFZBICLPNKBZ-SYBPFIFISA-N|5alpha pregnan 3alpha ol 20 one|DTXSID901016239|HMS3886D05|5alpha-pregnane-3alpha-ol-20-one|AMY16827|EX-A1195|(3a,5a)-3-Hydroxypregnan-20-one|BDBM50191342|HB0932|LMST02030156|MFCD00003677|s5805|(+)-3a-Hydroxy-5a-pregnan-20-one|AKOS024285177|Pregnane-3alpha-ol-20-one, 5alpha-|CS-6401|DB11859|3|A,5|A-THP;SAGE-547;Brexanolone|NCGC00163287-02|5alpha-Pregnan-3alpha-ol-20-one, solid|AC-30353|AS-76408|(3alpha,5alpha)-3-Hydroxy-pregnan-20-one|HY-101107|NS00069758|ALLOPREGNAN-3.ALPHA.-OL-20-ONE [MI]|D11149|(+)-3alpha-HYDROXY-5alpha-PREGNAN-20-ONE|EN300-19731899|Pregnan-20-one, 3-hydroxy-, (3alpha,5alpha)-|BRD-K18172896-001-01-7|Q28487680|(+)-3.ALPHA.-HYDROXY-5.ALPHA.-PREGNAN-20-ONE|8E5D696A-EEBC-495D-A8C9-98FC9A593150|3beta-hydroxy-5beta,10alpha,14beta,17alpha-pregnan-20-one|3beta-hydroxy-5beta,10alpha,14beta,17alpha-pregnan-20-one; Brexanolone
318.500
C21H34O2
37.300
500.000
4.900
23
1
2
1
InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C
CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
AURFZBICLPNKBZ-SYBPFIFISA-N
1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
318.256
318.256
0
1
0
8
8
0
0
0
0
2331
1743
474
2D+3D
Pregnanolone
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
17
2240|2241|2275|2313|2322|2330|50906|52291|71697|71834|71841|71842|71982|71999|72140|72141|72142|72143|72151|72451|72453|114282|119225|167988|167989|167990|167991|187593|187594|188186|191308|196544|197261|197264|219787|219789|219900|219901|221372|226453|227352|233476|233477|233478|239779|242285|243126|243127|243128|243131|246863|246875|265566|265567|265569|265570|265572|266554|266555|266556|266557|266558|266559|266560|324687|377080|377081|382391|382392|382394|382396|382397|382398|382399|414515|414516|427875|427876|427877|431871|431872|431873|434959|438604|438606|438607|454721|454722|454723|454724|454725|454726|454727|454728|454729|454730|454731|454732|454733|455027|455028|455029|490658|490659|521220|524790|524791|524792|524794|524796|624101|624137|624156|624260|624617|624618|624619|651548|659059|659061|659062|659063|659064|659065|659066|659068|659069|672987|977599|977602|1066194|1066202|1066203|1066211|1066212|1066213|1066214|1066215|1066217|1205592|1205593|1205595|1205596|1205597|1205598|1205599|1205600|1205601|1205602|1205604|1259421|1346475|1346496|1346504|1346513|1346520|1346541|1409598|1409605|1458417|1458418|1458419|1458420|1458421|1458422|1458423|1458424|1458425|1458426|1458427|1458428|1458429|1458430|1458431|1458432|1508626|1571344|1571419|1640020|1645758|1891772
20040916
001Chemical|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|Acadechem|Acmec Biochemical|Acorn PharmaTech Product List|AKos Consulting & Solutions|Alsachim|Ambinter|AN PharmaTech|ApexBio Technology|Apexmol|Aurora Fine Chemicals LLC|AvaChem Scientific|BenchChem|BIDD|BindingDB|BioCrick|Broad Institute|CCSbase|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|Clearsynth|Collaborative Drug Discovery, Inc.|CymitQuimica|DC Chemicals|DiscoveryGate|DrugBank|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|Elsa Biotechnology|Enamine|EPA DSSTox|Excenen Pharmatech|FDA Global Substance Registration System (GSRS)|Glentham Life Sciences Ltd.|Golm Metabolome Database (GMD), Max Planck Institute of Molecular Plant Physiology|Google Patents|Hangzhou APIChem Technology|Hello Bio|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|LabNetwork, a WuXi AppTec Company|LeadScope|LGC Standards|LIPID MAPS|MassBank of North America (MoNA)|Mcule|MedChemexpress MCE|Metabolomics Workbench|Molecule Market|MolPort|National Center for Advancing Translational Sciences (NCATS)|NCBI Structure|NextBio|NextMove Software|NORMAN Suspect List Exchange|NovoSeek|OChem|PATENTSCOPE (WIPO)|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Prous Science Drugs of the Future|PubChem Reference Collection|RR Scientific|Selleck Chemicals|Sigma-Aldrich|Sinfoo Biotech|Smolecule|Springer Nature|Starshine Chemical|SureChEMBL|TargetMol|THE BioTek|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|TimTec|Tocris Bioscience|ToxPlanet|Watec Laboratories|Wikidata|Wubei-Biochem|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants|C78272 - Agent Affecting Nervous System|D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
27924
Phorbol 12-myristate 13-acetate
Phorbol 12-myristate 13-acetate|16561-29-8|phorbol-12-myristate-13-acetate|12-O-Tetradecanoylphorbol-13-acetate|12-O-Tetradecanoylphorbol 13-acetate|Tetradecanoylphorbol acetate|Phorbol ester|Factor A1|12-Tetradecanoylphorbol 13-acetate|Phorbol myristate acetate|phorbol 13-acetate 12-myristate|TPA|PMA|PMA (tumor promoter)|Phorbol 12-tetradecanoate 13-acetate|TPA (phorbol derivative)|CCRIS 716|Pma (phorbol ester)|Tpa (phorbol ester)|Phorbol 12-myristate 13-acetate diester|Phorbol monoacetate monomyristate|HSDB 3542|13-O-Acetylphorbol 12-myristate|12-O-Tetradecanoyl phorbol acetate|MFCD00036736|beta-Phorbol 12-myristate 13-acetate|NSC 262244|12-Tetradecanoylphorbol 13-monoacetate|4beta-Phorbol 12-myristate 13-acetate|Phorbol 12-myristate 13-acetate (PMA)|CHEMBL279115|NI40JAQ945|CHEBI:37537|NSC-262244|(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl tetradecanoate|Phorbol acetate, myristate|12-o-Tetradekanoylphorbol-13-acetat|C36H56O8|Phorbol-myristate acetate|Pentahydroxy-tigliadienone-monoacetate(c)monomyristate(b)|yristate|UNII-NI40JAQ945|13-Tetradecanoylphorbol acetate|NSC626496|Cocarcinogen A1|Cocarcinogen C3|-yl ester|Phorbol-12-myristate 13-acetate|tetradecanoyl-beta-phorbol acetate|12-Tetradecanoylphorbol-13-acetate|5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-beta,1b-alpha,4,4a,7a-beta,7b,8,9,9a-decahydro-4a-alpha,7b-beta,9-alpha,9a-beta-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-beta-tetramethyl-, 9a-acetate 9-myristate|12-o-tetradecanoyl-phorbol-13-acetate|4beta-Phorbol-12-myristate-13-acetate|BRN 2407201|SpecPlus_000801|Spectrum2_001911|Spectrum4_000889|Spectrum5_001855|MolMap_000041|UPCMLD-DP069|12-O-Tetradekanoylphorbol-13-acetat [German]|BIDD:PXR0145|CBiol_002014|BSPBio_001024|KBioGR_000364|KBioGR_001298|KBioSS_000364|SPECTRUM330004|Tetradecanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-|DivK1c_006897|SCHEMBL115567|phorbol12-myristate13-acetate|SPBio_001902|1H-Cyclopropa[3,4]benz[1,2-e]azulene, tetradecanoic acid deriv.|GTPL2341|[acetoxy-dihydroxy-(hydroxymethyl)-tetramethyl-oxo-[?]yl] tetradecanoate|DTXSID5023798|UPCMLD-DP069:001|UPCMLD-DP069:002|BCBcMAP01_000182|KBio1_001841|KBio2_000364|KBio2_002932|KBio2_005500|KBio3_000707|KBio3_000708|Bio1_000300|Bio1_000789|Bio1_001278|Bio2_000352|Bio2_000832|HMS1362D05|HMS1792D05|HMS1990D05|HMS3403D05|Phorbol 13 Acetate 12 Myristate|EX-A6920|-one 9a-acetate, (+)- (8CI)|BDBM50099066|CCG-39863|HB0502|NSC262244|NSC262644|s7791|AKOS024418767|CS-6053|FS-4842|LMPR0104330002|NSC-262644|NSC-626496|IDI1_002107|NCGC00161633-01|NCGC00161633-04|NCGC00161633-05|4-.beta.-Phorbol 12-myristate 13-OAc|AC-33957|HY-18739|Myristic acid, 9-ester with 1,1aalpha,1bbeta,4,4a,7aalpha,7b,8,9,9a-decahydro-4abeta,7balpha,9beta,9aalpha-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8alpha-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one 9a-acetate, (+)-|Tetradecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester|Tetradecanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9, 9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aa,1bb,4ab,7aa,7ba, 8a,9b,9aa))-|12-o-tetradecanoylphorbol-13-acetate (tpa)|NS00025422|P1585|PHORBOL-12-TETRADECANOYL-13-ACETATE|C05151|4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha)]-|Q416716|W-201494|12-O-TETRADECANOYLPHORBOL-13-ACETATE [HSDB]|BRD-K68552125-001-03-8|BRD-K68552125-001-04-6|PHORBOL 12-MYRISTATE 13-ACETATE DIESTER [MI]|Phorbol-12-myristate-13-acetate - CAS 16561-29-8|Phorbol 12-myristate 13-acetate, synthetic, >=98.0% (TLC)|PMA, for use in molecular biology applications, >=99% (TLC)|Phorbol 12-myristate 13-acetate, >=99% (TLC), film or powder|12-O-tetradecanoyl phorbol-13-acetate;Cocarcinogen A1; Cocarcinogen C3|(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(Acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a ,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl tetradecanoate|(1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-14-yl tetradecanoate|[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate|11016-13-0|4beta,9alpha,12beta,13alpha,20-Pentahydroxytiglia-1,6-dien-3-one 12-tetradecanoate 13-acetate|5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-beta,1b-alpha,4,4a,7a-beta,7b,8,9,9a-decahydro-4a-alpha,7b-beta,9-alpha,9a-beta-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-beta-tetramethyl-, 9a-acetate 9-m|Myristic acid, 9-ester with 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-4a-beta,7b-alpha,9-beta,9a-alpha-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one, 9a-acetate|Myristic acid, 9-ester with 1,1aalpha,1bbeta,4,4a,7aalpha,7b,8,9,9a-decahydro-4abeta,7balpha,9beta,9aalpha-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8alpha-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulen-5|tetradecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9|Tetradecanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, [1aR-(1aalpha,1bbeta,
616.800
C36H56O8
130.000
1150.000
6.500
44
3
8
17
InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1
CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)C)O)C
CCCCCCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)C)O)C
PHEDXBVPIONUQT-RGYGYFBISA-N
[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate
616.398
616.398
0
1
0
8
8
0
0
0
0
41017
31510
10139
2D
Tetradecanoylphorbol Acetate
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
17
179|328|880|881|894|940|999|1004|1030|1379|1422|1452|1457|1460|1463|1467|1468|1469|1471|1476|1477|1478|1479|1490|1766|1768|1865|1948|2101|2107|2112|2240|2241|2275|2313|2314|2315|2316|2322|2330|2451|2472|2517|2528|2546|2549|2551|80963|164825|164962|218662|218937|220518|220908|221443|221771|280058|280060|282117|282118|282119|282120|282121|282122|282123|282124|282125|282126|296501|327061|327069|334631|334632|334633|334931|336961|357337|357338|378387|378388|378389|378390|378689|380908|380909|434959|458315|458316|458317|464279|485281|485290|485350|493033|493162|501122|501124|504327|504332|504847|517254|517255|517256|517257|517258|517259|517260|517261|521220|524790|524791|524792|524793|524794|524795|524796|530150|540299|588519|588579|599010|599012|599013|599014|599015|599040|599041|599042|602314|602332|608031|608032|614623|624101|624136|624137|624138|624139|624141|624151|624156|624260|651548|654581|662570|662571|662638|662639|687827|687836|687838|687839|697852|697853|718286|718287|718288|718289|718290|720532|720533|720717|745813|746929|746931|746932|746933|751657|751722|1106045|1106047|1106049|1106052|1152271|1152272|1152273|1152274|1152280|1152284|1152286|1226755|1228048|1228050|1228113|1228117|1228120|1231846|1231847|1231848|1231849|1231850|1231851|1259389|1259398|1259399|1259407|1259408|1259410|1259411|1259416|1259421|1259423|1281296|1291794|1291795|1291798|1291799|1291800|1332901|1332902|1332910|1332914|1346200|1346212|1346458|1346465|1346578|1346605|1346607|1347080|1439385|1439397|1439401|1459482|1459484|1459487|1459490|1459493|1459496|1459499|1459501|1459503|1459505|1459507|1459509|1459511|1459513|1459515|1459516|1459517|1459518|1459519|1459520|1459529|1459532|1491059|1491060|1502294|1502297|1502298|1502299|1505443|1505448|1505458|1532533|1532547|1532552|1535468|1640020|1645758|1655260|1655280|1655282|1671498|1808955|1808956|1918969
20050326
10X CHEM|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|Acorn PharmaTech Product List|Activate Scientific|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Ambeed|ApexBio Technology|AstaTech, Inc.|Aurora Fine Chemicals LLC|AvaChem Scientific|BenchChem|BIDD|BIND|BindingDB|BioCyc|Biopurify Phytochemicals|Biosynth|BLD Pharm|BOC Sciences|Broad Institute|CC_PMLSC|Center for Chemical Genomics, University of Michigan|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|Chemenu Inc.|ChemExper Chemical Directory|ChemFaces|Chemical Carcinogenesis Research Information System (CCRIS)|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemSpider|ChemTik|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Emory University Molecular Libraries Screening Center|eNovation Chemicals|EPA DSSTox|Excenen Pharmatech|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|Genetic Toxicology Data Bank (GENE-TOX)|Glentham Life Sciences Ltd.|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Hangzhou APIChem Technology|Hello Bio|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|LIPID MAPS|MassBank of North America (MoNA)|Mcule|MedChemexpress MCE|Metabolomics Workbench|Molecule Market|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Chemical Biology|NextBio|NextMove Software|NIAID ChemDB|NORMAN Suspect List Exchange|Novartis Institutes for BioMedical Research|NovoSeek|Oakwood Products|ORST SMALL MOLECULE SCREENING CENTER|PATENTSCOPE (WIPO)|Probes & Drugs portal|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|SLING Consortium|Smolecule|Springer Nature|SRMLSC|Starshine Chemical|SureChEMBL|THE BioTek|Therapeutic Target Database (TTD)|Thermo Fisher Scientific|Thomson Pharma|Tocris Bioscience|ToxPlanet|UPCMLD|VladaChem|VWR, Part of Avantor|Wikidata|xPharm: The Comprehensive Pharmacology Reference|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer|D009676 - Noxae > D002273 - Carcinogens > D010703 - Phorbol Esters|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
439176
5'-Deoxy-5'-methylthioadenosine
Methylthioadenosine|2457-80-9|5'-methylthioadenosine|5'-S-methyl-5'-thioadenosine|5'-Deoxy-5'-(methylthio)adenosine|5-Methylthioadenosine|5'-DEOXY-5'-METHYLTHIOADENOSINE|Vitamin L2|ADENOSINE, 5'-S-METHYL-5'-THIO-|(2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-((methylthio)methyl)tetrahydrofuran-3,4-diol|Thiomethyladenosine|5'-(Methylthio)adenosine|S-methyl-5'-thioadenosine|5'-S-Methylthioadenosine|MTA|Vitamin L(sub 2)|5'-(Methylthio)-5'-deoxyadenosine|5'-Deoxy(methylthio)adenosine|NSC 335422|634Z2VK3UQ|CHEMBL277041|5'-CH3S-5'dA|CHEBI:17509|MFCD00010533|(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(methylsulfanyl)methyl]oxolane-3,4-diol|(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol|9-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-9H-purin-6-amine|C11H15N5O3S|UNII-634Z2VK3UQ|NSC-335422|.beta.-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-5-S-methyl-5-thio-|BRN 0042420|5'-Thiomethyladenosine|5-Methyl-Thioadenosine|S-methyl-5-thioadenosine|Adenosine, 5-methylthio-|MTA; 5'-Methylthioadenosine|4-26-00-03675 (Beilstein Handbook Reference)|SCHEMBL160358|5-Deoxy-5-Methylthio adenosine|BDBM22111|5'-S-methyl-5'-thio-Adenosine|DTXSID20179308|METHYLTHIOADENOSINE [INCI]|WUUGFSXJNOTRMR-IOSLPCCCSA-N|5'-Deoxy-5'-methylthio-adenosine|AIDS003668|EX-A4640|PDSP1_001005|PDSP2_000989|AKOS016006238|5'-deoxy-5'-(methylsulfanyl)adenosine|DB02282|DS-4224|5 inverted exclamation marka-Deoxy-5 inverted exclamation marka-(methylthio)adenosine|5'-Deoxy-5'-(methylthio)-D-adenosine|HY-16938|CS-0012983|NS00014568|C00170|C74264|Q3599216|5'-Deoxy-5'-methylthioadenosine - CAS 2457-80-9|7DDC4B4A-0E54-449C-A502-BDAEA990DE4C|Z2217101605|Adenosine, 5'-S-methyl-5'-thio- (6CI,7CI,8CI,9CI)|1-(6-amino-9H-purin-9-yl)-1-deoxy-5-S-methyl-5-thio-beta-D-Ribofuranose|(2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol|(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-(methylthiomethyl)tetrahydrofuran-3,4-diol|(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)tetrahydrofuran-3,4-diol|(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[(methylsulfanyl)methyl]oxolane-3,4-diol|1-(6-amino-9H-purin-9-yl)-1-deoxy-5-S-methyl-5-thio-beta-delta-Ribofuranose|7-(TETRAHYDRO-3,4-DIHYDROXY-5-(METHYLMERCAPTOMETHYL)-2-FURYL)ADENINE
297.340
C11H15N5O3S
145.000
352.000
-0.300
20
3
8
3
InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
CSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O
WUUGFSXJNOTRMR-IOSLPCCCSA-N
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
297.09
297.09
0
1
0
4
4
0
0
0
0
645
2410
817
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
17
31540|31541|32197|32198|32199|32638|32875|32876|33289|33290|33909|34158|34274|34423|34729|44035|50094|71601|91847|94272|97371|97373|97375|98358|98650|99499|99503|99505|99507|99509|99513|99526|99528|99529|100526|100643|100644|105643|105907|105909|199460|199461|199462|199463|199464|203872|203891|203892|203898|239738|239753|242855|243020|317708|317709|327641|327642|384284|422446|422447|422448|422451|425815|425816|425817|667488|1825281
20040916
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|Acadechem|Activate Scientific|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alichem|Ambeed|Angel Pharmatech Ltd.|Anward|AstaTech, Inc.|Aurora Fine Chemicals LLC|AX Molecules Inc|BenchChem|BePharm Ltd.|Bic Biotech|BIND|BindingDB|BioCyc|BLD Pharm|BOC Sciences|CCSbase|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|Chemenu Inc.|ChemFaces|Chemical Probes Portal|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemSpider|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|CSNpharm|CymitQuimica|DC Chemicals|DiscoveryGate|DrugBank|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|Excenen Pharmatech|FDA Global Substance Registration System (GSRS)|Founder Pharma|Glentham Life Sciences Ltd.|Golm Metabolome Database (GMD), Max Planck Institute of Molecular Plant Physiology|Google Patents|Human Metabolome Database (HMDB)|IBM|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|LabNetwork, a WuXi AppTec Company|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Molecule Market|Molepedia|MolPort|MuseChem|Nature Chemical Biology|NCBI Structure|NextBio|NIAID ChemDB|NIST Mass Spectrometry Data Center|NMRShiftDB|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|OXCHEM CORPORATION|PATENTSCOPE (WIPO)|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Sigma-Aldrich|Sinfoo Biotech|SMID|Smolecule|Springer Nature|Starshine Chemical|SureChEMBL|Synthonix, Inc.|Syntree|TargetMol|THE BioTek|The Natural Products Atlas|Therapeutic Target Database (TTD)|Thomson Pharma|Thoreauchem|ToxPlanet|Tractus|W&J PharmaChem|West Coast Metabolomics Center-UC Davis|Wikidata|WikiPathways|Wubei-Biochem|ZINC
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D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents|D004791 - Enzyme Inhibitors|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map
2761171
Ethionamide
ethionamide|536-33-4|2-ethylpyridine-4-carbothioamide|Ethioniamide|Trecator|Amidazine|Ethyonomide|Etionamid|Etioniamid|Ethylisothiamide|2-Ethylthioisonicotinamide|Ethinamide|Nizotin|Thioamide|Trecator-SC|4-Pyridinecarbothioamide, 2-ethyl-|Bayer 5312|Trescatyl|Ethimide|Aetina|Amidazin|Etiocidan|Etionizin|Etionizina|Etionizine|Fatoliamid|Iridocin|Iridozin|Isotiamida|Itiocide|Nicotion|Rigenicid|Sertinon|Thianide|Thioniden|Trekator|Trescazide|Tubenamide|Tubermin|Tuberoid|Tuberoson|Aetiva|Ethina|Etimid|Etionid|Isothin|Teberus|Thianid|Tianid|Atina|Ethionamidum|Ethionamid prothionamid|Nisotin|Thiomid|Iridocin Bayer|Etionamida|Etionamide|Tiomid|2-ETHYL-4-PYRIDINECARBOTHIOAMIDE|Etionamide [DCIT]|2-Ethylisothionicotinamide|1314 TH|2-Ethylisonicotinothioamide|Ethionamidum [INN-Latin]|Etionamida [INN-Spanish]|2-Ethyl-4-thiocarbamoylpyridine|2-ethyl-4-thiopyridylamide|2-Ethyl-thioisonicotinamide|2-Ethylisonicotinic acid thioamide|TH 1314|1314-Th|alpha-Ethylisonicotinoylthioamide|NCI-C01694|2-Ethylisonicotinic thioamide|2-Ethyl-4-thioamidylpyridine|Isonicotinamide, 2-ethylthio-|Thiodine|OAY8ORS3CQ|F.I. 58-30|1314TH|NSC-255115|CHEBI:4885|DTXSID0020577|ETP|Aethionamidum|NSC255115|DTXCID00577|Tio-Mid|MLS000069764|.alpha.-Ethylisothionicotinamide|.alpha.-Ethylthioisonicotinamide|.alpha.-Ethylisonicotinoylthioamide|Trecator SC|1314 TN|.alpha.-Ethylisonicotinic acid thioamide|Ethina (VAN)|NCGC00016497-05|CAS-536-33-4|SMR000058716|ETHIONAMIDE (IARC)|ETHIONAMIDE [IARC]|ETHIONAMIDE (MART.)|ETHIONAMIDE [MART.]|ETHIONAMIDE (USP-RS)|ETHIONAMIDE [USP-RS]|alpha-Ethylisothionicotinamide|alpha-Ethylthioisonicotinamide|ETHIONAMIDE (EP MONOGRAPH)|ETHIONAMIDE [EP MONOGRAPH]|ETHIONAMIDE (USP MONOGRAPH)|ETHIONAMIDE [USP MONOGRAPH]|3-Ethylisothionicotinamide|alpha-Ethylisonicotinic acid thioamide|CCRIS 287|2-ethylisonicotinic acid thiomide|HSDB 7473|Bayer5312|SR-01000759219|UNII-OAY8ORS3CQ|EINECS 208-628-9|NSC 255115|BRN 0116474|Trecator (TN)|Prestwick_842|Isonicotinimidic acid, 2-ethylthio-|MFCD00057361|Ethionamide [USAN:USP:INN:BAN:JAN]|Spectrum_001082|CPD001370750|Opera_ID_632|ETHIONAMIDE [MI]|Prestwick0_000526|Prestwick1_000526|Prestwick2_000526|Prestwick3_000526|Spectrum2_000994|Spectrum3_000428|Spectrum4_000547|Spectrum5_000979|2-Ethylisonicotinothiamide|2-Ethylisonicotinthioamide|ETHIONAMIDE [INN]|ETHIONAMIDE [JAN]|E0695|ETHIONAMIDE [HSDB]|ETHIONAMIDE [USAN]|ETHIONAMIDE [VANDF]|CHEMBL1441|SCHEMBL27007|BSPBio_000511|BSPBio_002016|ETHIONAMIDE [WHO-DD]|ETHIONAMIDE [WHO-IP]|KBioGR_001213|KBioSS_001562|5-22-02-00360 (Beilstein Handbook Reference)|MLS001074114|MLS002454402|DivK1c_000145|SPECTRUM1500292|WLN: T6NJ B2 DYZUS|SPBio_001087|SPBio_002432|BPBio1_000563|Ethionamide (JP17/USP/INN)|AEOCXXJPGCBFJA-UHFFFAOYSA-|GTPL12954|HMS500H07|KBio1_000145|KBio2_001562|KBio2_004130|KBio2_006698|KBio3_001236|.alpha.-Ethyl-thioisonicotinamide|ETHIONAMIDE [ORANGE BOOK]|Isonicotinamide, 2-ethyl, thio-|J04AD03|Ethionamide for system suitability|NINDS_000145|2-Ethyl-4-pyridine-carbothioamide|HMS1569J13|HMS1920M22|HMS2091F03|HMS2096J13|HMS2231F10|HMS2233J11|HMS3259K17|HMS3370I18|HMS3371D12|HMS3655M10|HMS3713J13|Pharmakon1600-01500292|BCP29626|ETHIONAMIDUM [WHO-IP LATIN]|HY-B0276|Tox21_110458|Tox21_202409|Tox21_302769|CCG-40212|NSC757028|s1777|AKOS006220662|Tox21_110458_1|DB00609|FS-1770|NC00508|NSC-757028|IDI1_000145|NCGC00016497-01|NCGC00016497-02|NCGC00016497-03|NCGC00016497-04|NCGC00016497-06|NCGC00016497-08|NCGC00016497-09|NCGC00091074-01|NCGC00091074-02|NCGC00091074-03|NCGC00091074-04|NCGC00256600-01|NCGC00259958-01|AC-13715|SMR001370750|SBI-0051377.P003|DB-049945|2-ethylpyridine-4-carbothioamide;Ethionamide|AB00051990|NS00021198|SW196973-3|C07665|D00591|F15438|AB00051990-09|AB00051990_10|AB00051990_11|EN300-7475922|A829694|Q414767|SR-01000759219-2|SR-01000759219-5|W-105719|BRD-K33710385-001-05-4|BRD-K51207550-001-09-9|Ethionamide, European Pharmacopoeia (EP) Reference Standard|Ethionamide, United States Pharmacopeia (USP) Reference Standard|ethinamide; 2-ethylthioisonicotinamide; 2-ethylpyridine-4-carbothioamide|Ethionamide for system suitability, European Pharmacopoeia (EP) Reference Standard|InChI=1/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)|Trecator;2-Ethylthioisonicotinamide;Ethinamide; Ethioniamide; Trecator SC; Trecator-SC
166.250
C8H10N2S
71.000
147.000
1.100
11
1
2
2
InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)
CCC1=NC=CC(=C1)C(=S)N
CCC1=NC=CC(=C1)C(=S)N
AEOCXXJPGCBFJA-UHFFFAOYSA-N
2-ethylpyridine-4-carbothioamide
166.056
166.056
0
1
0
0
0
0
0
0
0
3321
53762
15584
2D+3D
Ethionamide
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
17
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1702|651704|651710|651711|651718|651719|651723|651724|651725|651741|651743|651749|651751|651754|651755|651757|651758|651768|651777|651778|651800|651802|651819|651820|651821|651828|651838|651957|651958|651965|651999|652010|652017|652025|652039|652048|652051|652054|652067|652104|652105|652106|652115|652126|652154|652162|652163|652197|652257|686940|686964|686970|686971|686977|686978|686979|686992|686996|687014|687016|713897|720504|720508|720509|720511|720516|720532|720533|720542|720543|720551|720552|720553|720554|720579|720580|720582|720596|720634|720635|720636|720637|720641|720647|720648|720652|720653|720659|720674|720675|720678|720679|720680|720681|720682|720683|720684|720685|720686|720687|720691|720692|720693|720700|720702|720704|720706|720707|720708|720709|720711|720717|720719|720725|743012|743014|743015|743033|743035|743036|743040|743041|743042|743053|743054|743063|743064|743065|743066|743067|743069|743074|743075|743077|743078|743079|743080|743081|743083|743084|743085|743086|743091|743094|743122|743126|743139|743140|743191|743194|743199|743202|743203|743209|743210|743211|743212|743213|743215|743217|743218|743219|743220|743221|743222|743223|743224|743225|743226|743227|743228|743238|743239|743240|743241|743242|743244|743247|743255|743266|743268|743269|743270|743271|743272|743279|743288|743292|743344|743345|743346|743347|743397|743398|977599|977602|1053175|1053188|1053197|1079931|1079932|1079933|1079934|1079935|1079936|1079937|1079938|1079939|1079940|1079941|1079942|1079943|1079944|1079945|1079946|1079947|1079948|1079949|1117298|1117301|1117302|1117303|1117304|1117305|1117310|1117311|1117312|1117314|1117315|1117318|1117319|1117326|1117329|1117336|1117340|1117341|1117342|1117343|1117346|1159386|1159387|1159390|1159509|1159515|1159516|1159517|1159518|1159519|1159520|1159521|1159523|1159524|1159525|1159526|1159527|1159528|1159529|1159531|1159550|1159551|1159552|1159553|1159555|1159580|1159583|1159606|1159607|1159614|1181176|1224824|1224825|1224834|1224835|1224836|1224837|1224838|1224839|1224840|1224841|1224842|1224843|1224844|1224845|1224846|1224847|1224848|1224849|1224857|1224859|1224863|1224864|1224865|1224867|1224868|1224869|1224870|1224871|1224872|1224873|1224874|1224875|1224876|1224877|1224878|1224879|1224880|1224881|1224882|1224883|1224884|1224885|1224886|1224887|1224888|1224889|1224890|1224892|1224893|1224894|1224895|1224896|1259241|1259242|1259243|1259244|1259247|1259248|1259251|1259252|1259253|1259255|1259256|1259309|1259310|1259311|1259313|1259318|1259325|1259344|1259355|1259356|1259364|1259365|1259366|1259367|1259368|1259369|1259374|1259377|1259378|1259379|1259380|1259381|1259382|1259383|1259384|1259385|1259386|1259387|1259388|1259389|1259390|1259391|1259392|1259393|1259394|1259395|1259396|1259397|1259398|1259400|1259401|1259402|1259403|1259404|1259406|1259407|1259408|1259411|1259413|1259415|1259416|1259421|1259422|1259423|1265266|1265268|1265269|1265270|1265271|1265272|1265273|1265274|1272365|1296008|1296009|1342823|1342824|1345084|1345086|1345199|1346200|1346378|1346428|1346784|1346795|1346798|1346799|1346824|1346829|1346859|1346877|1346891|1346924|1346977|1346978|1346979|1346980|1346981|1346982|1346986|1346987|1347030|1347031|1347032|1347033|1347034|1347035|1347036|1347037|1347038|1347041|1347053|1347055|1347056|1347060|1347061|1347062|1347063|1347064|1347065|1347066|1347067|1347068|1347071|1347074|1347075|1347076|1347080|1347082|1347083|1347085|1347086|1347089|1347090|1347091|1347092|1347093|1347094|1347095|1347096|1347097|1347098|1347099|1347100|1347101|1347102|1347103|1347104|1347105|1347106|1347107|1347108|1347120|1347131|1347154|1347395|1347397|1347398|1347399|1347407|1347411|1347424|1347425|1376808|1378013|1378014|1409565|1409566|1409567|1409568|1409569|1409570|1409571|1409594|1409598|1409605|1422277|1422278|1422279|1422280|1422281|1422282|1435842|1435843|1435844|1449628|1474166|1474167|1479145|1479147|1479149|1479150|1508586|1508601|1508602|1508614|1508616|1508620|1508623|1508624|1508626|1508630|1557257|1585696|1640020|1645758|1645839|1645840|1645841|1645842|1645843|1645845|1645846|1645851|1645870|1645874|1645876|1645877|1645879|1645882|1645883|1645886|1645887|1653417|1653418|1671188|1671190|1671193|1671194|1671196|1671197|1671198|1671199|1671200|1671201|1671463|1671498|1695726|1695727|1739636|1745844|1745845|1745856|1745857|1784353|1784361|1784362|1794731|1794732|1794733|1794735|1794736|1794738|1794739|1794740|1794742|1794745|1794746|1794748|1794750|1794751|1794752|1794753|1794754|1794755|1794756|1794757|1794758|1794759|1794760|1794761|1794763|1794764|1794765|1794766|1794767|1794768|1794769|1794771|1794772|1794773|1794774|1794775|1794776|1794777|1794778|1794779|1794780|1794781|1794782|1794783|1794784|1794785|1794786|1794787|1794788|1794789|1794790|1794792|1794793|1794794|1794795|1794796|1794798|1794799|1794800|1845191|1845192|1883681|1883741|1883742|1889500|1889501|1916612|1918969|1918990|1919968|1919969|1919970|1920062|1920063|1920064|1920065|1920067|1920068
20050325
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbovChem LLC|Acadechem|Achemtek|Acmec Biochemical|Activate Scientific|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Amadis Chemical|Ambeed|Ambinter|AmicBase - Antimicrobial Activities|AN PharmaTech|Angene Chemical|Anward|ApexBio Technology|Ark Pharm, Inc.|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|BenchChem|BePharm Ltd.|Bic Biotech|BioChemPartner|Biocore|BioCrick|BioCyc|Biosynth|BLD Pharm|BOC Sciences|Boone Lab, Chemical Genomics, University of Toronto|Broad Institute|Burnham Center for Chemical Genomics|C. David Weaver Laboratory, Vanderbilt University|CAPOT|Carcinogenic Potency Database (CPDB)|CCSbase|Center for Chemical Genomics, University of Michigan|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemDB|Chemenu Inc.|ChemExper Chemical Directory|Chemical Carcinogenesis Research Information System (CCRIS)|chemical genetic matrix|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|Chemodex Ltd.|ChemShuttle|ChemSpider|ChemTik|Chen Lab, School of Medicine, Emory University|Chung Lab, Department of Pediatrics, Emory University|Clearsynth|Collaborative Drug Discovery, Inc.|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|Crystallography Open Database (COD)|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|Debye Scientific Co., Ltd|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eInhibitors|eMolecules|Emory University Molecular Libraries Screening Center|Enamine|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|Founder Pharma|Fredberg Lab, Harvard T.H. Chan School of Public Health|Genetic Toxicology Data Bank (GENE-TOX)|Glentham Life Sciences Ltd.|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Hairui Chemical|Hangzhou APIChem Technology|Horrigan Lab, Baylor College of Medicine|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|Lan Pharmatech|LeadScope|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Milwaukee Institute for Drug Discovery|MLSMR|MolCore|Molecule Market|Molepedia|MolPort|MP Biomedicals|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NextBio|NextMove Software|NIAID ChemDB|NIH Clinical Collection|NIH/NCATS RNAi|NINDS Approved Drug Screening Program|NIST Chemistry WebBook|NIST Mass Spectrometry Data Center|NMRShiftDB|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|ORST SMALL MOLECULE SCREENING CENTER|OXCHEM CORPORATION|PATENTSCOPE (WIPO)|PDSP|Phion Ltd|Pi Chemicals|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Prous Science Drugs of the Future|PubChem Reference Collection|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|Sinfoo Biotech|SLING Consortium|Small Molecule Screening Facility, UW Madison|Smolecule|Southern Research Institute|Springer Nature|SpringerMaterials|Starshine Chemical|SureChEMBL|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thermo Fisher Scientific|Thieme Chemistry|Thomson Pharma|TimTec|Tox21|ToxPlanet|Tractus|U-M Center for Drug Repurposing|UCLA Molecular Screening Shared Resource|UCSC Chemical Screening Center|University of Iowa High-Throughput Screening Core (UIHTS)|University of Kansas High Throughput Screening Laboratory|VladaChem|VWR, Part of Avantor|Wikidata|Wiley|Wubei-Biochem|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent|D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents|D000963 - Antimetabolites > D000960 - Hypolipidemic Agents > D054872 - Fatty Acid Synthesis Inhibitors|D009676 - Noxae > D000963 - Antimetabolites|D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents|J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis > J04AD - Thiocarbamide derivatives
14052
Ethambutol
ethambutol|74-55-5|Myambutol|Ethambutolum|Aethambutolum|D-Ethambutol|Tibutol|(+)-S,S-Ethambutol|Ethambutol Hydrochloride|(+)-ethambutol|(S,S)-ethambutol|(2S,2'S)-2,2'-(Ethane-1,2-diylbis(azanediyl))bis(butan-1-ol)|Etambutolo [DCIT]|Etambutol [INN-Spanish]|Ethambutolum [INN-Latin]|S,S-Ethambutol|Diambutol|CHEBI:4877|Ethambutol dihydrochloride|(+)-2,2'-(Ethylenediimino)di-1-butanol|(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol|Purderal|(+)-N,N'-Bis(1-(hydroxymethyl)propyl)ethylenediamine|1-Butanol,2,2'-(1,2-ethanediyldiimino)bis-, (2S,2'S)-|EMB|Ethambutol (INN)|8G167061QZ|(2R)-2-[2-(1-hydroxybutan-2-ylamino)ethylamino]butan-1-ol|1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (2S,2'S)-|ETHAMBUTOL [INN]|(2S,7S)-2,7-diethyl-3,6-diazaoctane-1,8-diol|(2S,2'S)-2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol|Etambutolo|(2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol|D-2,2'-(Ethylenediimino)di-1-butanol|D-2,2'-(Ethylenediimino)bis(1-butanol)|1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (S-(R*,R*))-|1-Butanol, 2,2'-(ethylenediimino)di-, (+)-|d,N,N'-Bis(1-hydroxymethylpropyl)ethylenediamine|D-N,N'-Bis(1-hydroxymethylpropyl)ethylenediamine|Ethambutol [INN:BAN]|(R)-2,2'-(1,2-Ethanediyldiimino)bis-1-butanol|NCGC00178864-03|UNII-8G167061QZ|HSDB 3078|Servambutol (TN)|95E|EINECS 200-810-6|Spectrum_001058|ETHAMBUTOL [MI]|Spectrum2_001014|Spectrum3_000426|Spectrum4_000545|Spectrum5_000702|ETHAMBUTOL [HSDB]|ETHAMBUTOL [VANDF]|1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (R)-|Myambutol (dihydrochloride)|SCHEMBL3399|ETHAMBUTOL [WHO-DD]|BSPBio_002012|KBioGR_001209|KBioSS_001538|CHEMBL44884|DivK1c_000561|SPBio_001167|CL 40881 (dihydrochloride)|DTXSID8023006|GTPL12996|KBio1_000561|KBio2_001538|KBio2_004106|KBio2_006674|KBio3_001232|NINDS_000561|DTXSID901028179|HY-B0535|BDBM50448407|DB00330|IDI1_000561|NCGC00178864-01|NCGC00178864-04|SBI-0051375.P003|NS00000393|C06984|D07925|D94801|E-3950|EN300-150035|AB00053473_04|AB00053473_05|Q412318|(S,S)-2,2'-(1,2-Ethanediyldiimino)bis-1-butanol|BRD-K93231391-300-03-1|(+)-(S,S)-2,2'-(1,2-Ethylenediimino)-di-1-butanol|(2R*,2'R*)-2,2'-(Ethane-1,2-diyldiimino)dibutan-1-ol|(2S,2S)-2,2-(ETHANE-1,2-DIYLDIIMINO)DIBUTAN-1-OL|Ethambutol dihydrochloride, Antibiotic for Culture Media Use Only|(2S)-2-[2-[[(1S)-1-(hydroxymethyl)propyl]amino]ethylamino]butan-1-ol
204.310
C10H24N2O2
64.500
109.000
-0.100
14
4
4
9
InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1
CC[C@@H](CO)NCCN[C@@H](CC)CO
CCC(CO)NCCNC(CC)CO
AEUTYOVWOVBAKS-UWVGGRQHSA-N
(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol
204.184
204.184
0
1
0
2
2
0
0
0
0
13861
33557
8679
2D+3D
Ethambutol
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
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20050624
10X CHEM|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbovChem LLC|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Alsachim|Amadis Chemical|Ambeed|Ambinter|AmicBase - Antimicrobial Activities|AN PharmaTech|Angene Chemical|ApexBio Technology|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|BenchChem|BePharm Ltd.|Bic Biotech|BindingDB|BioCrick|BioCyc|Biosynth|BLD Pharm|BOC Sciences|Broad Institute|Burnham Center for Chemical Genomics|CCSbase|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|Chemenu Inc.|Chemhere|Chemical Carcinogenesis Research Information System (CCRIS)|chemical genetic matrix|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemSpider|ChemTik|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Crystallography Open Database (COD)|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|DrugBank|DrugCentral|DTP/NCI|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Emory University Molecular Libraries Screening Center|Enamine|eNovation Chemicals|EPA DSSTox|EvitaChem|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|Founder Pharma|Genetic Toxicology Data Bank (GENE-TOX)|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|King Scientific|LeadScope|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Molecular Libraries Program, Specialized Chemistry Center, University of Kansas|Molecule Market|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Chemical Biology|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIH Clinical Collection|NINDS Approved Drug Screening Program|NORMAN Suspect List Exchange|NovoSeek|ORST SMALL MOLECULE SCREENING CENTER|OXCHEM CORPORATION|Parchem|PATENTSCOPE (WIPO)|Petrascheck Lab, The Scripps Reserach Institute, Department of Molecular Medicine|Phion Ltd|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Prous Science Drugs of the Future|PubChem Reference Collection|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|Sinfoo Biotech|Small Molecule Screening Facility, UW Madison|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|SureChEMBL|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Tox21|ToxPlanet|UCSC Chemical Screening Center|University of Iowa High-Throughput Screening Core (UIHTS)|Wikidata|Wubei-Biochem|Wutech|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent|D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents|J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis
5816
Epinephrine
epinephrine|adrenaline|l-Adrenaline|L-epinephrine|51-43-4|Adrenalin|Levoepinephrine|Nephridine|Adnephrine|Chelafrin|Epinefrina|Epinephran|Epirenan|Epipen|(-)-Epinephrine|(-)-Adrenaline|Renoform|Vasoconstrictine|Bronkaid Mist|Primatene Mist|Adrenalinum|Glauposine|Hemostasin|Hemostatin|Hypernephrin|Levorenin|Levorenine|Mucidrina|Nieraline|Paranephrin|Renaglandin|Renaleptine|Renostypticin|Scurenaline|Styptirenal|Supracapsulin|Supranephrane|Vasotonin|Adrenal|Adrenine|Epifrin|Exadrin|Hemisine|Renalina|Simplene|Takamina|Twinject|Adrin|Bosmin|(R)-Adrenaline|(-)-(R)-Epinephrine|Sus-Phrine|Antiasthmatique|Esphygmogenina|Isoptoepinal|Methylarterenol|Sphygmogenin|Stryptirenal|Supranephrine|Adrenamine|Adrenapax|Adrenasol|Adrenodis|Adrenohorma|Adrenosan|Adrenutol|Astmahalin|Astminhal|Balmadren|Bernarenin|Biorenine|Brevirenin|Drenamist|Dylephrin|Glaucosan|Glycirenan|Haemostasin|Haemostatin|Hektalin|Hyporenin|Intranefrin|Kidoline|Lyophrin|Myosthenine|Sindrenina|Soladren|Supranefran|Supranol|Takamine|Tokamina|Vasodrine|Corisol|Mytrate|Suprel|Asthma-nefrin|l-Epirenamine|Asmatane Mist|Sympathin I|(R)-Epinephrine|Asthma meter mist|Bronkaid|Supradin|Glaucon|Adrenalin-Medihaler|Dyspne-Inhal|Tonogen|R-(-)-Epinephrine|Epiglaufrin|Epinephrinum|Epinefrin|Levorenen|Susphrine|4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol|Eppy|1-Epinephrine|1-Adrenalin|Epipen Jr.|Epinefrin [Czech]|Renaglandulin|Renostypricin|Vasoconstrictor|Adrenalina|Adrenatrate|Epirenin|Metanephrin|Renagladin|Renostyptin|Surenine|Surrenine|(R)-(-)-Adrenaline|Vasoton|d-Adrenaline|Rcra waste number P042|R-Adrenaline|Auvi-q|Vaponefrin|Methylaminoethanolcatechol|(R)-(-)-Epinephrine|l-Epinephrine (synthetic)|Adrenalina [DCIT]|Adrenaclick|Epinefrina [INN-Spanish]|Epinephrinum [INN-Latin]|Adrenan|Lyodrin|Symjepi|Adrine|l-Adrenalin|(R)-(-)-Adnephrine|EPIPEN E Z PEN|(R)-(-)-Epirenamine|EPI E Z PEN JR|l-Methylaminoethanolcatechol|Twinject 0.3|Auvi-Q auto-injector|Twinject 0.15|Racepinefrine, (r)-|EPIPEN JR|1,2-Benzenediol, 4-(1-hydroxy-2-(methylamino)ethyl)-, (R)-|Epinephrin|Levoreninum|SUS-PHRINE SULFITE-FREE|CCRIS 4812|Anapen|L-Epinehphrine|HSDB 4289|l-1-(3,4-Dihydroxyphenyl)-2-methylaminoethanol|(-)-3,4-Dihydroxy-alpha-((methylamino)methyl)benzyl alcohol|AI3-19015|RCRA waste no. P042|UNII-YKH834O4BH|4-(1-Hydroxy-2-(methylamino)ethyl)-1,2-benzenediol|EINECS 200-098-7|Adrenalin (TN)|Micronefrin|NSC 62786|Epitrate|(-)-Adrenalin|Levo-Methylaminoethanolcatechol|4-[(1R)-1-Hydroxy-2-(methylamino)ethyl]-1,2-benzenediol|1-1-(3,4-Dihydroxyphenyl)-2-methylaminoethanol|(-)-R-Epinephrine|DTXSID5022986|Sus-phrine sulphite-free|Lopac-E-4642|1,2-Benzenediol, 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-|NSC-62786|CHEMBL679|YKH834O4BH|D-Epinephrine|(R)-4-[1-Hydroxy-2-(methylamino)ethyl]-1,2-benzenediol|DTXCID802986|D-Epifrin|CHEBI:28918|1,2-Benzenediol, 4-(1-hydroxy-2-(methylamino)ethyl)-, (theta)-|Benzyl alcohol, 3,4-dihydroxy-alpha-((methylamino)methyl)-, (-)-|Epinephrine [USP:INN:BAN:JAN]|OCTOCAINE COMPONENT EPINEPHRINE|IONTOCAINE COMPONENT EPINEPHRINE|NCGC00015417-01|NCGC00142615-03|NCGC00142615-08|EPINEPHRINE COMPONENT OF OCTOCAINE|EPINEPHRINE COMPONENT OF IONTOCAINE|1,2-Benzenediol, 4-((1R)-1-hydroxy-2-(methylamino)ethyl)-|Epinefrina (INN-Spanish)|Epinephrinum (INN-Latin)|ADRENALINE (MART.)|ADRENALINE [MART.]|EPINEPHRINE (USP-RS)|EPINEPHRINE [USP-RS]|ADRENALINE (EP IMPURITY)|ADRENALINE [EP IMPURITY]|LIDOSITE TOPICAL SYSTEM KIT COMPONENT EPINEPHRINE|(-)-3,4-Dihydroxy-a-[2-(methylamino)ethyl]benzyl alcohol|ADRENALINE (EP MONOGRAPH)|ADRENALINE [EP MONOGRAPH]|EPINEPHRINE COMPONENT OF LIDOSITE TOPICAL SYSTEM KIT|Epinephrine (USP:INN:BAN:JAN)|Exadri|EPINEPHRINE (USP MONOGRAPH)|EPINEPHRINE [USP MONOGRAPH]|1,2-Benzenediol, 4-[1-hydroxy-2-(methylamino)ethyl]-, (R)-|Alipogene tiparvovec|l-Epinephine|4-((1R)-1-HYDROXY-2-(METHYLAMINO)ETHYL)-1,2-BENZENEDIOL|Asthmahaler Mist|Ana-Guard|Ana-Kit|CAS-51-43-4|Epipen EZ Pen|L-Adrenaline Base|Epi EZ Pen Jr|ADROP|Epinephrine [USAN:INN:JAN]|Epipen Auto-Injector|L-(-)-EPINEPHRINE|(+/-)-Adrenalin|Bronkaid Suspension Mist|4-[1-Hydroxy-2-(methylamino)ethyl]-1,2-benzenediol|Epipen Jr. Auto-Injector|(r)-4-(1-hydroxy-2-(methylamino)ethyl)benzene-1,2-diol|epineprine|(R)-4-(1-Hydroxy-2-(methylamino)ethyl)-1,2-benzenediol|4-((1R)-1-hydroxy-2-(methylamino)ethyl)benzene-1,2-diol|adrAnaline|EpinJect|NSC62786|Bupivacaine Hcl and Epinephrine|Benzyl alcohol, 3,4-dihydroxy-.alpha.-[(methylamino)methyl]-, (-)-|BENZYL ALCOHOL, 3,4-DIHYDROXY-.ALPHA.-((METHYLAMINO)METHYL)-, (-)-|Epinephrine1553|epinephrine solution|ALE|IOP|Epinephrine (USP)|Prime Asthma Relief|Epipen (TN)|nchembio747-comp9|ASTHMAHALIN|Twinject 0.30|Adrenaline/Epinephrine|Epinephrine Inhalation|(-)-Epinephrine;L-Adrenaline;(-)-Adrenalin|Adrenaline (JP15)|Adrenaline (JP17)|Epitrate (Salt/Mix)|Auvi-q (TN)|ADRENALIN(R)|epinephrine|racepinefrine|ADRENALINE [JAN]|Epinephrine (USP/INN)|EPINEPHRINE [MI]|EPINEPHRINE [INN]|ADRENALINUM [HPUS]|EPINEPHRINE [HSDB]|bmse000316|4-[1-Hydroxy-2-(methylamino)ethyl]-1,2-benzenediol #|Citanest Forte (Salt/Mix)|L-Adrenaline (Epinephrine)|SCHEMBL3814|3,4-Dihydroxy-.alpha.-((methylamino)methyl)benzyl alcohol|EPINEPHRINE [WHO-DD]|EPINEPHRINE [WHO-IP]|GTPL479|BIDD:GT0119|E4250_SIGMA|ADRENALIN (EPINEPHRINE)|(-)-Epinephrine (+)-bitartrate salt;L-Adrenaline (+)-bitartrate salt|BDBM44818|cid_6852374|HY-B0447B|A01AD01|B02BC09|C01CA24|component of E-Pilo (Salt/Mix)|EPINEPHRINE (AUTOINJECTOR)|EPINEPHRINE [ORANGE BOOK]|R01AA14|R03AA01|S01EA01|HMS3884H06|Episnap Epinephrine Convenience Kit|(R)-(-)-3,4-Dihydroxy-alpha-(methylaminomethyl)benzyl alcohol|104655-05-2|BCP09042|EPINEPHRINUM [WHO-IP LATIN]|Tox21_111562|BDBM50029050|HSCI1_000215|MFCD00002204|MFCD00063027|PDSP1_001120|PDSP2_001104|s2522|51-43-4 (FREE BASE)|AKOS024283500|Tox21_111562_1|CCG-204593|DB00668|SDCCGSBI-0050486.P002|SMP1_000227|(-)-Epinephrine, >=97.0% (NT)|NCGC00142615-01|NCGC00142615-04|NCGC00142615-05|NCGC00142615-06|NCGC00142615-07|NCGC00142615-09|NCGC00142615-18|AC-13188|AC-31211|AS-13813|4,5-beta-trihydroxy-N-methylphenethylamine|A0173|NS00010349|SW219274-1|C00788|D00095|D88222|EN300-120880|AB00573227-11|AB00573227-12|AB00573227-13|AB00573227_14|AB00573227_15|Q132621|4-(1-hydroxy-2-methylamino-ethyl)benzene-1,2-diol|Q-200601|SR-01000075267-8|3,4-Dihydroxy-alpha-(methylaminomethyl)benzyl alcohol|NORADRENALINE TARTRATE IMPURITY A [EP IMPURITY]|V49663C-25 SPINAL 25G PENCIL POINT NOVAPLUS|4-[(1R)-1-hydroxy-2-methylaminoethyl]benzene-1,2-diol|Z1255449978|(-)-3,4-dihydroxy-a-[(methylamino)methyl]-Benzyl alcohol|Adrenaline, European Pharmacopoeia (EP) Reference Standard|(+/-)-3,4-Dihydroxy-alpha-(methylaminomethyl)benzyl alcohol|(-)-3,4-dihydroxy-alpha-[(methylamino)methyl]-Benzyl alcohol|(-)-3,4-Dihydroxy-alpha-[2-(methylamino)ethyl]benzyl alcohol|3,4-DIHYDROXY-1-(1-HYDROXY-2-(METHYLAMINO)ETHYL)BENZENE|4-[(1R)-1-hydroxy-2-(methylamino)ethyl]pyrocatechol;tartaric acid|(-)-3,4-DIHYDROXY-.ALPHA.-((METHYLAMINO)METHYL)BENZYL ALCOHOL|Adrenaline with impurity F, European Pharmacopoeia (EP) Reference Standard|2,3-bis(oxidanyl)butanedioic acid;4-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]benzene-1,2-diol
183.200
C9H13NO3
72.700
154.000
-1.400
13
4
4
3
InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
CNC[C@@H](C1=CC(=C(C=C1)O)O)O
CNCC(C1=CC(=C(C=C1)O)O)O
UCTWMZQNUQWSLP-VIFPVBQESA-N
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
183.09
183.09
0
1
0
1
1
0
0
0
0
141479
262704
76683
2D+3D
Epinephrine
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
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1206|1331210|1342825|1342826|1345084|1345199|1345908|1345920|1345971|1346000|1346049|1346058|1346159|1346250|1346260|1346297|1346378|1346428|1346784|1346795|1346798|1346799|1346824|1346829|1346859|1346877|1346891|1346924|1346977|1346978|1346979|1346980|1346981|1346982|1346983|1346984|1346985|1346986|1346987|1347030|1347031|1347032|1347033|1347034|1347035|1347036|1347037|1347038|1347045|1347049|1347050|1347053|1347055|1347060|1347061|1347062|1347063|1347064|1347065|1347066|1347067|1347068|1347079|1347082|1347083|1347085|1347086|1347089|1347090|1347091|1347092|1347093|1347094|1347095|1347096|1347097|1347098|1347099|1347100|1347101|1347102|1347103|1347104|1347105|1347106|1347107|1347108|1347131|1347154|1347166|1347384|1347395|1347397|1347398|1347399|1347407|1347411|1347418|1347420|1347424|1347425|1347427|1347428|1347429|1347430|1366659|1397319|1397320|1397321|1397322|1474166|1474167|1479145|1479147|1479149|1479150|1508596|1508616|1508620|1508623|1508624|1508630|1617012|1617013|1640020|1645758|1645839|1645840|1645841|1645842|1645845|1645846|1645851|1645870|1645876|1645877|1645882|1645883|1645886|1645887|1671188|1671190|1671193|1671194|1671196|1671197|1671198|1671199|1671200|1671201|1745845|1745856|1745857|1751482|1751483|1815474|1815475|1815477|1815478|1815481|1815485|1834516|1834517|1834518|1834520|1834521|1834522|1834523|1834524|1834525|1834526|1834527|1836648|1837577|1838506|1839435|1840364|1841293|1842222|1843151|1844080|1845009|1845191|1845192|1912612|1912615|1912618|1912621|1912624|1912627|1912630|1912633|1912636|1912639|1912642|1912645|1912646|1919968|1919969|1919970|1920063|1920064|1920065|1920067|1920068
20040916
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Adooq BioScience|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Alsachim|Amadis Chemical|AN PharmaTech|Angene Chemical|ApexBio Technology|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|BenchChem|Bic Biotech|BIDD|BindingDB|BioChemPartner|BioCrick|BioCyc|Biological Magnetic Resonance Data Bank (BMRB)|Biosynth|BOC Sciences|Boerchem|Broad Institute|Burnham Center for Chemical Genomics|Calbiochem|Carcinogenic Potency Database (CPDB)|CCSbase|CD Formulation|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|Chemenu Inc.|ChemExper Chemical Directory|ChemFaces|Chemical Carcinogenesis Research Information System (CCRIS)|chemical genetic matrix|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|Chen Lab, School of Medicine, Emory University|China MainChem Co., Ltd|Chung Lab, Department of Pediatrics, Emory University|Circadian Research, Kay Laboratory, University of California at San Diego (UCSD)|Collaborative Drug Discovery, Inc.|Comparative Toxicogenomics Database (CTD)|Crystallography Open Database (COD)|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|EMD Millipore|Emory University Molecular Libraries Screening Center|Enamine|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|EvitaChem|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|Genetic Toxicology Data Bank (GENE-TOX)|Glentham Life Sciences Ltd.|Glixx Labs Inc|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Hangzhou APIChem Technology|Human Metabolome Database (HMDB)|Hunan Chemfish Pharmaceutical Co., Ltd.|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|Kingston Chemistry|LabNetwork, a WuXi AppTec Company|Lan Pharmatech|LeadScope|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Milwaukee Institute for Drug Discovery|MLSMR|Molecule Market|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Chemical Biology|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIH/NCATS RNAi|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|Novartis Institutes for BioMedical Research|NovoSeek|Oakwood Products|OChem|Paczesny and Yang Labs, IUPUI and University of Michigan|Parchem|PATENTSCOPE (WIPO)|Pi Chemicals|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|PubChem Reference Collection|Race Chemical|RESOLUTE - Research Empowerment on Solute Carriers|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Shanghai Send Pharmaceutical Technology Co., Ltd|Sigma-Aldrich|Sinfoo Biotech|SLING Consortium|Small Molecule Screening Facility, UW Madison|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|SureChEMBL|Syntech Labs|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Thermo Fisher Scientific|Thieme Chemistry|Thomson Pharma|TimTec|Tox21|ToxPlanet|Tractus|Uchem Meditech|UCSC Chemical Screening Center|University of Kansas High Throughput Screening Laboratory|University of Pittsburgh Molecular Library Screening Center|VladaChem|VWR, Part of Avantor|Wikidata|WikiPathways|Wubei-Biochem|Wutech|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC|Zoeller Lab, School of Medicine, Boston University
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations|B - Blood and blood forming organs > B02 - Antihemorrhagics > B02B - Vitamin k and other hemostatics > B02BC - Local hemostatics|C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents|C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain|C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist|C78274 - Agent Affecting Cardiovascular System > C126567 - Vasopressor|D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents|D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics|D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics|D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists|D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents|R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AA - Sympathomimetics, plain|R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AA - Alpha- and beta-adrenoreceptor agonists|S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EA - Sympathomimetics in glaucoma therapy
6918493
Ambrisentan
Ambrisentan|177036-94-1|Letairis|Volibris|LU-208075|BSF-208075|(S)-2-(4,6-Dimethylpyrimidin-2-yloxy)-3-methoxy-3,3-diphenylpropanoic acid|(S)-2-((4,6-Dimethylpyrimidin-2-yl)oxy)-3-methoxy-3,3-diphenylpropanoic acid|BSF 208075|UNII-HW6NV07QEC|HW6NV07QEC|GSK1325760A|GSK-1325760A|DTXSID4046282|GSK1325760|GSK-1325760|CHEMBL1111|AMBRISENTAN, (+)-|DTXCID2026282|LU 208075|(2s)-2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid|Benzenepropanoic acid, alpha-[(4,6-dimethyl-2-pyrimidinyl)oxy]-beta-methoxy-beta-phenyl-, (alphaS)-|(+)-(2S)-2-((4,6-dimethylpyrimidin-2-yl)oxy)-3-methoxy-3,3-diphenylpropanoic acid|(+-)-(2S)-2-((4,6-Dimethylpyrimidin-2-yl)oxy)-3-methoxy-3,3-diphenylpropanoic acid|AMBRISENTAN (MART.)|AMBRISENTAN [MART.]|Ambrisentan [INN]|LU208075|(S)-ambrisentan|(+)-ambrisentan|(s)-2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropionic acid|CAS-177036-94-1|ambrisentanum|Pulmonext|Ambrisentan [INN:BAN:JAN]|Ambrisentan?|(2S)-2-((4,6-Dimethylpyrimidin-2-yl)oxy)-3-methoxy-3,3-diphenylpropanoic acid|C22H22N2O4|NCGC00160662-01|Letairis (TN)|Volibris (TN)|Ambrisentan- Bio-X|BSF 208075;LU 208075|Ambrisentan (JAN/INN)|AMBRISENTAN [MI]|AMBRISENTAN [JAN]|AMBRISENTAN [VANDF]|SCHEMBL3679|AMBRISENTAN [WHO-DD]|MLS006010218|AMBRISENTAN [EMA EPAR]|GTPL3951|AMBRISENTAN [ORANGE BOOK]|C02KX02|CHEBI:135949|OUJTZYPIHDYQMC-LJQANCHMSA-N|EX-A3315|Tox21_111967|BDBM50146710|FD7219|MFCD09842330|s2097|AKOS015994540|Tox21_111967_1|AC-9015|CCG-268386|CS-0447|DB06403|DE-0223|NCGC00160662-02|NCGC00346730-01|BA164153|HY-13209|SMR004701307|SW219060-1|D07077|AB01566890_01|EN300-7368573|Q410789|J-519579|(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-di(phenyl)propanoic acid|(2S)-2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy- 3,3-diphenylpropanoic acid|(S)-2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-methoxy-3,3-diphenyl-propionic acid
378.400
C22H22N2O4
81.500
475.000
3.800
28
1
6
7
InChI=1S/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1
CC1=CC(=NC(=N1)O[C@H](C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C
CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C
OUJTZYPIHDYQMC-LJQANCHMSA-N
(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoic acid
378.158
378.158
0
1
0
1
1
0
0
0
0
1229
7620
1422
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
66523|68318|169570|175125|186073|197008|197010|588211|588212|588213|588834|603845|625276|625279|625280|625281|625282|625283|625284|625285|625286|625287|625288|625289|625290|625291|625292|651631|651632|651633|651634|651635|652048|652051|686978|686979|720516|720532|720533|720552|720634|720635|720637|720674|720675|720678|720679|720680|720681|720682|720683|720684|720685|720686|720687|720691|720692|720693|720719|720725|743012|743014|743015|743033|743035|743036|743040|743041|743042|743053|743054|743063|743064|743065|743066|743067|743069|743074|743075|743077|743078|743079|743080|743081|743083|743084|743085|743086|743091|743094|743122|743139|743140|743191|743194|743199|743202|743203|743209|743210|743211|743212|743213|743215|743217|743218|743219|743220|743221|743222|743223|743224|743225|743226|743227|743228|743239|743240|743241|743242|743244|743344|743345|743346|743347|1117298|1117301|1117302|1117303|1117304|1117305|1117310|1117311|1117312|1117314|1117315|1117318|1117326|1117329|1117336|1117340|1117341|1117342|1117343|1117346|1159509|1159515|1159516|1159517|1159518|1159519|1159520|1159521|1159523|1159525|1159526|1159527|1159528|1159529|1159531|1159551|1159552|1159553|1159555|1159614|1207273|1207300|1207333|1207360|1207393|1207420|1207454|1207487|1207514|1207548|1215086|1215087|1215088|1215089|1215093|1215096|1224824|1224825|1224834|1224835|1224836|1224837|1224838|1224839|1224840|1224841|1224842|1224843|1224844|1224845|1224846|1224847|1224848|1224849|1224857|1224859|1224867|1224868|1224869|1224870|1224871|1224872|1224873|1224874|1224875|1224876|1224877|1224878|1224879|1224880|1224881|1224882|1224883|1224884|1224885|1224886|1224887|1224888|1224889|1224890|1224892|1224893|1224894|1224895|1224896|1259241|1259242|1259243|1259244|1259247|1259248|1259252|1259253|1259255|1259256|1259344|1259355|1259356|1259364|1259365|1259366|1259367|1259368|1259369|1259377|1259378|1259379|1259380|1259381|1259382|1259383|1259384|1259385|1259386|1259387|1259388|1259390|1259391|1259392|1259393|1259394|1259395|1259396|1259398|1259399|1259400|1259401|1259402|1259403|1259404|1259416|1259421|1259423|1296008|1296009|1345084|1345199|1345807|1345905|1346378|1346428|1346784|1346795|1346798|1346799|1346824|1346829|1346859|1346877|1346891|1346924|1346977|1346978|1346979|1346980|1346981|1346982|1346983|1346984|1346985|1346986|1346987|1347030|1347031|1347032|1347033|1347034|1347035|1347036|1347037|1347038|1347053|1347055|1347060|1347061|1347062|1347063|1347064|1347065|1347066|1347067|1347068|1347082|1347083|1347085|1347086|1347089|1347090|1347091|1347092|1347093|1347094|1347095|1347096|1347097|1347098|1347099|1347100|1347101|1347102|1347103|1347104|1347105|1347106|1347107|1347108|1347154|1347395|1347397|1347398|1347399|1347407|1347411|1347424|1347425|1409598|1409605|1474166|1474167|1479145|1479147|1479149|1479150|1508616|1508620|1508623|1508624|1508630|1626381|1626382|1636356|1636357|1636440|1640020|1645758|1645839|1645840|1645841|1645842|1645844|1645845|1645846|1645847|1645851|1645870|1645876|1645877|1645882|1645883|1645886|1645887|1671188|1671190|1671193|1671194|1671196|1671197|1671198|1671199|1671200|1671201|1671498|1745845|1745856|1745857|1834510|1834511|1834512|1834513|1834514|1834515|1834522|1834523|1834524|1834525|1834526|1834527|1836406|1837335|1838264|1839193|1840122|1841051|1841980|1842909|1843838|1844767|1845191|1845192|1912612|1912613|1912614|1912615|1912616|1912617|1912618|1912619|1912620|1912621|1912622|1912623|1912624|1912625|1912626|1912627|1912628|1912629|1912630|1912631|1912632|1912633|1912634|1912635|1912636|1912637|1912638|1912639|1912640|1912641|1912642|1912643|1912644|1912645|1912646|1912647|1912648|1919968|1919969|1919970|1920063|1920064|1920065|1920067|1920068
20060728
001Chemical|10X CHEM|1st Scientific|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbovChem LLC|Acesobio|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|Adooq BioScience|AEchem Scientific Corp., USA|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alsachim|Ambeed|Anward|ApexBio Technology|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|AvaChem Scientific|Axon Medchem|BenchChem|BePharm Ltd.|Bic Biotech|BindingDB|Biosynth|BLD Pharm|BOC Sciences|Boerchem|Broad Institute|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|ChEMBL|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Crystallography Open Database (COD)|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|Excenen Pharmatech|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|Founder Pharma|Google Patents|Hangzhou APIChem Technology|IBM|iChemical Technology USA Inc|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|Lan Pharmatech|LGC Standards|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|MLSMR|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NextBio|NextMove Software|NIH/NCATS RNAi|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|OXCHEM CORPORATION|PATENTSCOPE (WIPO)|Pi Chemicals|Probes & Drugs portal|Prous Science Drugs of the Future|PubChem Reference Collection|RR Scientific|SCRIPDB|Selleck Chemicals|Smolecule|Southern Research Institute|Springer Nature|SureChEMBL|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Thoreauchem|Tocris Bioscience|Tox21|ToxPlanet|Tractus|TripleBond|UCSC Chemical Screening Center|VladaChem|Wikidata|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
C28313 - Endothelin Receptor Antagonist > C28334 - Endothelin Receptor Type A Antagonist|D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents|C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent|C - Cardiovascular system > C02 - Antihypertensives > C02K - Other antihypertensives > C02KX - Antihypertensives for pulmonary arterial hypertension|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials, COVID-19 Disease Map
2723872
D-Fructose
D-Arabino-Hex-2-ulo-Pyranose|D-Fru|D-Fructopyranose|D-Fructopyranoside|D-Fructose|Fru|Fructopyranose|Fructopyranoside|Fructose|CHEBI:37714|fructosteril|laevoral|laevosan|levugen|UNII-R73GS1TJE0|HSDB 526|Fruchtzucker|Fruktose|Laevulose|Levolose|BRN 1423189|arabino-hex-2-ulose|[14C]-Fructose|4-01-00-04402 (Beilstein Handbook Reference)|SCHEMBL239448|(3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol|CHEMBL2325229|CHEBI:15824|CHEBI:28757|LKDRXBCSQODPBY-VRPWFDPXSA-N|AKOS004910390|F0317|C05003|TOPIRAMATE IMPURITY, FRUCTOSE-(USP IMPURITY)|Q27117234|EB37038E-44A6-4AF7-B0D8-47A315AD2F74|FRUCTOSE (CONSTITUENT OF CRANBERRY LIQUID PREPARATION)|(3S,4R,5R)-2-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol
180.160
C6H12O6
110.000
162.000
-2.800
12
5
6
1
InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1
C1[C@H]([C@H]([C@@H](C(O1)(CO)O)O)O)O
C1C(C(C(C(O1)(CO)O)O)O)O
LKDRXBCSQODPBY-VRPWFDPXSA-N
(3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
180.063
180.063
0
1
0
4
3
1
0
0
0
18561
16313
6698
2D+3D
Fructose
Agrochemical Information|Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy
16
728618|728620|728624
20050719
3B Scientific (Wuhan) Corp|ABI Chem|AKos Consulting & Solutions|BioCyc|BLD Pharm|CCSbase|CD Formulation|ChEBI|ChEMBL|ChemExper Chemical Directory|Cheminformatics Friedrich-Schiller-University Jena|ChemSpider|ChemTik|Comparative Toxicogenomics Database (CTD)|DiscoveryGate|DrugCentral|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|EvitaChem|GlyTouCan Project|Golm Metabolome Database (GMD), Max Planck Institute of Molecular Plant Physiology|Google Patents|IBM|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|LabNetwork, a WuXi AppTec Company|MassBank of North America (MoNA)|Metabolomics Workbench|MolMall|NextBio|NextMove Software|NORMAN Suspect List Exchange|NovoSeek|PATENTSCOPE (WIPO)|Probes & Drugs portal|PubChem Reference Collection|RR Scientific|SCRIPDB|Springer Nature|Starshine Chemical|SureChEMBL|Symbol Nomenclature for Glycans (SNFG) Reference Collection|TCI (Tokyo Chemical Industry)|Thieme Chemistry|Thomson Pharma|Tractus|Wikidata|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D000074385 - Food Ingredients > D005503 - Food Additives|D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents|V - Various > V06 - General nutrients > V06D - Other nutrients > V06DC - Carbohydrates|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map
5352425
Lead
7439-92-1|Lead|Pb|Lead metal|Plumbum|Lead element|Lead flake|Lead cation Pb4+|Glover|Blei|Plumbum metallicum|Omaha & grant|Rough lead bullion|Lead, ion (Pb4+)|Lead S2|Olow|Lead powder|Lead S 2|SSO 1|C.I. 77575|CCRIS 1581|HSDB 231|KS-4|Pb-S 100|EINECS 231-100-4|UNII-7Y62STE4M2|7Y62STE4M2|lead(0)|CI 77575|METALLIC LEAD|UNII-2P299V784P|2P299V784P|Lead powder, -200 mesh|Lead granules|CHEBI:25016|CHEBI:27889|EC 231-100-4|MFCD00134050|plomo|LEAD (IARC)|LEAD [IARC]|Lead, elemental|LEAD (MART.)|LEAD [MART.]|Olow [Polish]|plomb|Lead, inorganic|Lead rod, 6.35mm (0.25in) dia|Plumbum; Lead metal; Blei; Lead, elemental|Lead ion (1 )|Lead 240|Lead Standard: Pb @ 1000 microg/mL in 5% HNO3|Lead Standard: Pb @ 10000 microg/mL in 5% HNO3|Lead AA Standard: Pb @ 1000 microg/mL in 5% HNO3|Lead isotope of mass 240|240Pb|lead atom|Lead inorganic|Lead standard|Lead Nanopowder|Lead Nanoprisms|Lead Nanowires|Lead ingot|Lead Nanorods|Lead metal-shot|Lead wire|Lead rod|Lead, granules|54076-28-7|Plumbum Mel.|Plumbum 5|Plumbum 8X|Constipation Cramps|Plumbum 12|Plumbum 30|Lead, p.a.|PLUMBIC ION|PLUMBUM MET|Lead ion (1+)|LEAD SZ|LEAD(IV) ION|Plumbum 8 Special Order|Lead Nanowires Properties|LEAD [HSDB]|Plumbum metallicum 200C|10B - Lead|LEAD [WHO-DD]|82Pb|LEAD [MI]|Lead granules, +30 mesh|Lead powder, -100 mesh|LEAD ION(4+)|Lead shot, 3mm (0.1in)|Lead shot, 4mm (0.2in)|Pb(0)|DTXCID804161|PB4+|Plumbum met. 20 Special Order|Plumbum met. 30 Special Order|CHEBI:30180|HSDB 6923|Pb(4+)|DTXSID70872438|PLUMBUM METALLICUM [HPUS]|WABPQHHGFIMREM-UHFFFAOYSA-N|Lead rod, 10mm (0.39in) dia|Lead rod, 9.5mm (0.37in) dia|Lead Antimony shot, 2mm (0.08in)|Lead wire, 1.0mm (0.04in) dia|Lead wire, 2.0mm (0.08in) dia|AKOS028108231|Lead wire, 0.25mm (0.01in) dia|Lead wire, 0.75mm (0.03in) dia|Lead foil, 0.76mm (0.03in) thick|Lead plate, 6.35mm (0.25in) thick|N420|Q708|Bullet lead, NIST(R) SRM(R) C2416|Lead foil, 1.19mm (0.0469in) thick|PTP Sample for Lead in Isooctane Analysis|Lead - Pb @ 10 microg/mL in 2% HNO3|Indium Selenide (In2Se3) Sputtering Targets|NS00099540|High-purity lead, NIST(R) SRM(R) C2418|Lead Standard: Pb @ 0.1 g/gal in Isooctane|Lead Standard: Pb @ 1.0 g/gal in Isooctane|Lead Standard: Pb @ 2.0 g/gal in Isooctane|Lead Standard: Pb @ 3.0 g/gal in Isooctane|Lead Standard: Pb @ 4.0 g/gal in Isooctane|Lead Standard: Pb @ 5.0 g/gal in Isooctane|C06696|Lead - Pb @ 1000 microg/mL in 5% HNO3|Lead wire, 0.5mm (0.02in) dia, Puratronic|Lead, rod, 50mm, diameter 50mm, 99.95%|Lead - Pb @ 1000 microg/g in Hydrocarbon Oil|Lead - Pb @ 5000 microg/g in Hydrocarbon Oil|Lead powder, -200 mesh, 99% (metals basis)|Lead Standard: Pb @ 0.000 g/gal in Isooctane|Lead Standard: Pb @ 0.001 g/gal in Isooctane|Lead Standard: Pb @ 0.005 g/gal in Isooctane|Lead Standard: Pb @ 0.010 g/gal in Isooctane|Lead Standard: Pb @ 0.050 g/gal in Isooctane|Lead Standard: Pb @ 0.100 g/gal in Isooctane|Lead Standard: Pb @ 0.300 g/gal in Isooctane|Lead, rod, 100mm, diameter 50mm, 99.95%|Lead, rod, 200mm, diameter 50mm, 99.95%|Lead, shot, <2 mm, 99.9% trace metals basis|Lead foil, 1.6mm (0.063in) thick, 30x30cm|Lead granules, 0.6-4.0mm, (0.02-0.12in)|Lead Standard: Pb @ 10 microg/mL in 2% HNO3|Lead, rod, 1000mm, diameter 3.2mm, 99.95%|Lead, rod, 100mm, diameter 12.7mm, 99.95%|Lead, rod, 100mm, diameter 19.0mm, 99.95%|Lead, rod, 100mm, diameter 6.35mm, 99.95%|Lead, rod, 200mm, diameter 12.7mm, 99.95%|Lead, rod, 200mm, diameter 19.0mm, 99.95%|Lead, rod, 200mm, diameter 6.35mm, 99.95%|Lead, rod, 500mm, diameter 12.7mm, 99.95%|Lead, rod, 500mm, diameter 19.0mm, 99.95%|Lead, rod, 500mm, diameter 3.2mm, 99.95%|Lead, rod, 500mm, diameter 6.35mm, 99.95%|Lead foil, 0.5mm (0.02in) thick, Puratronic(R)|Lead, rod, 1000mm, diameter 12.7mm, 99.95%|Lead, rod, 1000mm, diameter 19.0mm, 99.95%|Lead, rod, 1000mm, diameter 6.35mm, 99.95%|Lead, shot, 1-3 mm, 99.995% trace metals basis|Common lead isotopic standard, NIST(R) SRM(R) 981|Lead, powder, -325 mesh, >=99% trace metals basis|Lead, shot, 1-3 mm, 99.9995% trace metals basis|Lead-Free Soil Reference Material: Pb < 4 microg/g|Q27110449|Q27882203|L007100000|Lead Standard: Pb @ 1000 microg/g in Hydrocarbon Oil|Lead Standard: Pb @ 5000 microg/g in Hydrocarbon Oil|Lead, foil, 10mm disks, thickness 0.01mm, 99.99+%|Lead, foil, 10mm disks, thickness 0.02mm, 99.99+%|Lead, foil, 10mm disks, thickness 0.03mm, 99.99+%|Lead, foil, 10mm disks, thickness 0.04mm, 99.99+%|Lead, foil, 10mm disks, thickness 0.05mm, 99.99+%|Lead, foil, 15mm disks, thickness 0.01mm, 99.99+%|Lead, foil, 15mm disks, thickness 0.02mm, 99.99+%|Lead, foil, 15mm disks, thickness 0.03mm, 99.99+%|Lead, foil, 15mm disks, thickness 0.04mm, 99.99+%|Lead, foil, 15mm disks, thickness 0.05mm, 99.99+%|Lead, foil, 25mm disks, thickness 0.02mm, 99.99+%|Lead, foil, 25mm disks, thickness 0.03mm, 99.99+%|Lead, foil, 25mm disks, thickness 0.04mm, 99.99+%|Lead, foil, 25mm disks, thickness 0.05mm, 99.99+%|Lead, foil, 4mm disks, thickness 0.006mm, 99.99+%|Lead, foil, 4mm disks, thickness 0.007mm, 99.99+%|Lead, foil, 4mm disks, thickness 0.008mm, 99.99+%|Lead, foil, 4mm disks, thickness 0.009mm, 99.99+%|Lead, foil, 4mm disks, thickness 0.015mm, 99.99+%|Lead, foil, 4mm disks, thickness 0.01mm, 99.99+%|Lead, foil, 4mm disks, thickness 0.025mm, 99.99+%|Lead, foil, 4mm disks, thickness 0.02mm, 99.99+%|Lead, foil, 4mm disks, thickness 0.03mm, 99.99+%|Lead, foil, 4mm disks, thickness 0.04mm, 99.99+%|Lead, foil, 4mm disks, thickness 0.05mm, 99.99+%|Lead, foil, 6mm disks, thickness 0.006mm, 99.99+%|Lead, foil, 6mm disks, thickness 0.007mm, 99.99+%|Lead, foil, 6mm disks, thickness 0.008mm, 99.99+%|Lead, foil, 6mm disks, thickness 0.009mm, 99.99+%|Lead, foil, 6mm disks, thickness 0.015mm, 99.99+%|Lead, foil, 6mm disks, thickness 0.01mm, 99.99+%|Lead, foil, 6mm disks, thickness 0.025mm, 99.99+%|Lead, foil, 6mm disks, thickness 0.02mm, 99.99+%|Lead, foil, 6mm disks, thickness 0.03mm, 99.99+%|Lead, foil, 6mm disks, thickness 0.04mm, 99.99+%|Lead, foil, 6mm disks, thickness 0.05mm, 99.99+%|Lead, foil, 8mm disks, thickness 0.006mm, 99.99+%|Lead, foil, 8mm disks, thickness 0.007mm, 99.99+%|Lead, foil, 8mm disks, thickness 0.008mm, 99.99+%|Lead, foil, 8mm disks, thickness 0.009mm, 99.99+%|Lead, foil, 8mm disks, thickness 0.015mm, 99.99+%|Lead, foil, 8mm disks, thickness 0.01mm, 99.99+%|Lead, foil, 8mm disks, thickness 0.025mm, 99.99+%|Lead, foil, 8mm disks, thickness 0.02mm, 99.99+%|Lead, foil, 8mm disks, thickness 0.03mm, 99.99+%|Lead, foil, 8mm disks, thickness 0.04mm, 99.99+%|Lead, foil, 8mm disks, thickness 0.05mm, 99.99+%|Lead, powder, -100 mesh, 99.95% trace metals basis|Lead, wire, diam. 1.0 mm, 99.99% trace metals basis|Lead rod, 5mm (0.2in) dia, 99.9999% (metals basis)|Lead wire, 2.0mm (0.08in) dia, 99.99% (metals basis)|Lead, foil, 10mm disks, thickness 0.006mm, 99.99+%|Lead, foil, 10mm disks, thickness 0.007mm, 99.99+%|Lead, foil, 10mm disks, thickness 0.008mm, 99.99+%|Lead, foil, 10mm disks, thickness 0.009mm, 99.99+%|Lead, foil, 10mm disks, thickness 0.0125mm, 99.99+%|Lead, foil, 10mm disks, thickness 0.015mm, 99.99+%|Lead, foil, 10mm disks, thickness 0.025mm, 99.99+%|Lead, foil, 15mm disks, thickness 0.006mm, 99.99+%|Lead, foil, 15mm disks, thickness 0.007mm, 99.99+%|Lead, foil, 15mm disks, thickness 0.008mm, 99.99+%|Lead, foil, 15mm disks, thickness 0.009mm, 99.99+%|Lead, foil, 15mm disks, thickness 0.0125mm, 99.99+%|Lead, foil, 15mm disks, thickness 0.015mm, 99.99+%|Lead, foil, 15mm disks, thickness 0.025mm, 99.99+%|Lead, foil, 1m coil, thickness 1.0mm, as rolled, 99.5%|Lead, foil, 25mm disks, thickness 0.025mm, 99.99+%|Lead, foil, 2m coil, thickness 1.0mm, as rolled, 99.5%|Lead, foil, 4mm disks, thickness 0.0125mm, 99.99+%|Lead, foil, 6mm disks, thickness 0.0125mm, 99.99+%|Lead, foil, 8mm disks, thickness 0.0125mm, 99.99+%|Lead foil, 1.0mm (0.04in) thick, 99.998% (metals basis)|Lead Hollow Cathode Lamp: 1.5' Diameter, 2-pin, Non-Coded|Lead Hollow Cathode Lamp: 2.0' Diameter, 4-pin, Cableless|Lead Hollow Cathode Lamp: 2.0' Diameter, 9-pin, Non-Coded|Lead rod, 12.7mm (0.5in) dia, 99.9998% (metals basis)|Lead wire, 1.0mm (0.04in) dia, 99.998% (metals basis)|Lead, foil, 0.5m coil, thickness 0.1mm, as rolled, 99.95%|Lead, foil, 0.5m coil, thickness 0.5mm, as rolled, 99.95%|Lead, foil, 0.5m coil, thickness 1.0mm, as rolled, 99.5%|Lead, foil, 0.5m coil, thickness 1.0mm, as rolled, 99.95%|Lead, foil, 0.5m coil, thickness 2.0mm, as rolled, 99.95%|Lead, foil, 100x100mm, thickness 1.0mm, as rolled, 99.5%|Lead, foil, 10m coil, thickness 0.15mm, as rolled, 99.95%|Lead, foil, 10m coil, thickness 0.1mm, as rolled, 99.95%|Lead, foil, 10mm disks, thickness 0.1mm, as rolled, 99.95%|Lead, foil, 10mm disks, thickness 0.55mm, as rolled, 100%|Lead, foil, 10mm disks, thickness 0.5mm, as rolled, 99.95%|Lead, foil, 150x150mm, thickness 1.0mm, as rolled, 99.5%|Lead, foil, 15mm disks, thickness 0.1mm, as rolled, 99.95%|Lead, foil, 15mm disks, thickness 0.55mm, as rolled, 100%|Lead, foil, 15mm disks, thickness 0.5mm, as rolled, 99.95%|Lead, foil, 1m coil, thickness 0.125mm, as rolled, 99.95%|Lead, foil, 1m coil, thickness 0.15mm, as rolled, 99.95%|Lead, foil, 1m coil, thickness 0.1mm, as rolled, 99.95%|Lead, foil, 1m coil, thickness 0.25mm, as rolled, 99.95%|Lead, foil, 1m coil, thickness 0.5mm, as rolled, 99.95%|Lead, foil, 1m coil, thickness 1.0mm, as rolled, 99.95%|Lead, foil, 1m coil, thickness 2.0mm, as rolled, 99.95%|Lead, foil, 25mm disks, thickness 0.1mm, as rolled, 99.95%|Lead, foil, 25mm disks, thickness 0.55mm, as rolled, 100%|Lead, foil, 25mm disks, thickness 0.5mm, as rolled, 99.95%|Lead, foil, 25x25mm, thickness 0.15mm, as rolled, 99.95%|Lead, foil, 25x25mm, thickness 0.1mm, as rolled, 99.95%|Lead, foil, 25x25mm, thickness 0.25mm, as rolled, 99.95%|Lead, foil, 25x25mm, thickness 0.5mm, as rolled, 99.95%|Lead, foil, 25x25mm, thickness 0.5mm, as rolled, 99.99+%|Lead, foil, 25x25mm, thickness 1.0mm, as rolled, 99.5%|Lead, foil, 25x25mm, thickness 1.0mm, as rolled, 99.95%|Lead, foil, 25x25mm, thickness 1.0mm, as rolled, 99.99+%|Lead, foi
207.000
Pb
0.000
0.000
null
1
0
0
0
InChI=1S/Pb
[Pb]
[Pb]
WABPQHHGFIMREM-UHFFFAOYSA-N
lead
207.977
207.977
0
1
0
0
0
0
0
0
0
39050
8205
5966
2D
Lead
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Taxonomy|Biological Test Results: Active
16
1259407|1259408
20040916
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COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map
5090
Rofecoxib
rofecoxib|162011-90-7|Vioxx|Ceoxx|MK 966|4-(4-(Methylsulfonyl)phenyl)-3-phenylfuran-2(5H)-one|refecoxib|Vioxx Dolor|MK-966|4-[4-(methylsulfonyl)phenyl]-3-phenylfuran-2(5H)-one|MK0966|4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone|MK 0966|MK-0966|rofecoxibum|3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one|CCRIS 8967|HSDB 7262|TRM-201|UNII-0QTW8Z7MCR|0QTW8Z7MCR|NSC-720256|NSC-758705|CHEBI:8887|DTXSID2023567|M01AH02|MK966|3-phenyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone|4-(4-(Methylsulfonyl)phenyl)-3-phenyl-2(5H)-furanone|4-(p-(Methylsulfonyl)phenyl)-3-phenyl-2(5H)-furanone|3-Phenyl-4-(4-(methylsulfonyl)phenyl))-2(5H)-furanone|2(5H)-Furanone, 4-[4-(methylsulfonyl)phenyl]-3-phenyl-|4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofuran-2-one|CHEMBL122|4-(4-methylsulfonylphenyl)-3-phenyl-5H-furan-2-one|DTXCID903567|TRM201|NSC720256|NSC 720256|NSC 758705|2(5H)-Furanone, 4-(4-(methylsulfonyl)phenyl)-3-phenyl-|NCGC00095118-01|ROFECOXIB (MART.)|ROFECOXIB [MART.]|Vioxx (trademark)|SMR000466331|Vioxx (TN)|SR-01000762904|3-phenyl-4-(4-(methylsulfonyl)phenyl)-2(5H)-furanone|Rofecoxib (JAN/USAN/INN)|Rofecoxib [USAN:INN:BAN]|Rofecoxib (Vioxx)|Rofecoxib [USAN]|KS-1107|MK 0996|Spectrum_000119|ROFECOXIB [INN]|ROFECOXIB [JAN]|SpecPlus_000669|ROFECOXIB [MI]|ROFECOXIB [HSDB]|Spectrum2_000446|Spectrum3_001153|Spectrum4_000631|Spectrum5_001598|ROFECOXIB [VANDF]|ROFECOXIB [WHO-DD]|SCHEMBL3050|BSPBio_002705|KBioGR_001242|KBioGR_002345|KBioSS_000559|KBioSS_002348|MLS000759440|MLS001165770|MLS001195623|MLS001424113|MLS006010091|BIDD:GT0399|DivK1c_006765|SPECTRUM1504235|SPBio_000492|3-(4-methanesulfonylphenyl)-2-phenyl-2-buten-4-olide|GTPL2893|ROFECOXIB [ORANGE BOOK]|BDBM22369|KBio1_001709|KBio2_000559|KBio2_002345|KBio2_003127|KBio2_004913|KBio2_005695|KBio2_007481|KBio3_002205|KBio3_002825|EX-A708|cMAP_000024|HMS1922H11|HMS2051G16|HMS2089H20|HMS2093E04|HMS2232G21|HMS3371P11|HMS3393G16|HMS3651F16|HMS3713B07|HMS3750I17|HMS3885E05|Pharmakon1600-01504235|BCP03619|Tox21_111430|CCG-40253|MFCD00935806|NSC758705|s3043|STK635144|AKOS000280931|AB07701|CS-0997|DB00533|NC00132|SB19518|NCGC00095118-02|NCGC00095118-03|NCGC00095118-04|NCGC00095118-05|NCGC00095118-08|NCGC00095118-17|NCGC00095118-18|AC-28318|BR164362|HY-17372|NCI60_041175|SBI-0206774.P001|CAS-162011-90-7|NS00003940|R0206|SW219668-1|C07590|D00568|AB00052090-06|AB00052090-08|AB00052090_09|AB00052090_10|EN300-7364304|A810324|L000912|Q411412|Q-201676|SR-01000762904-3|SR-01000762904-5|BRD-K21733600-001-02-6|BRD-K21733600-001-06-7|3-(4-methanesulfonyl-phenyl)-2-phenyl-2-buten-4-olide|4-(4'-(Methylsulfonyl)phenyl)-3-phenyl-2(5H)-furanone|Z2037279770|2(5H)-Furanone, 4-[4-(methyl-sulfonyl)phenyl]-3-phenyl-|3-(Phenyl)-4-(4-(methylsulfonyl)phenyl)-2-(5H)-furanone|3-Phenyl-4-(4-(Methylsulfonyl)Phenyl)-2-(5H)-Furanone|4-(4-METHANESULFONYL-PHENYL)-3-PHENYL-5H-FURAN-2-ONE|4-(4-methylsulfonylphenyl)-3-phenyl-2,5-dihydro-2-furanone
314.400
C17H14O4S
68.800
556.000
2.300
22
0
4
3
InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3
CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3
RZJQGNCSTQAWON-UHFFFAOYSA-N
3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one
314.061
314.061
0
1
0
0
0
0
0
0
0
6759
83135
14943
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
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20040916
1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|Abbott Labs|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemtek|Activate Scientific|Adooq BioScience|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Amadis Chemical|Ambeed|Ambinter|AN PharmaTech|Angel Pharmatech Ltd.|Angene Chemical|Anward|AOBIOUS INC|ApexBio Technology|Ark Pharm, Inc.|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|AvaChem Scientific|Axon Medchem|BenchChem|BIDD|BindingDB|BioChemPartner|Biocore|BioCrick|Biosynth|BLD Pharm|BOC Sciences|Broad Institute|Burnham Center for Chemical Genomics|C. David Weaver Laboratory, Vanderbilt University|CAPOT|Center for Chemical Genomics, University of Michigan|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemDB|Chemical Carcinogenesis Research Information System (CCRIS)|chemical genetic matrix|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|Chen Lab, School of Medicine, Emory University|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|Crystallography Open Database (COD)|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|Day Biochem|DC Chemicals|DiscoveryGate|DrugBank|DrugCentral|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Emory University Molecular Libraries Screening Center|Enamine|EPA DSSTox|Excenen Pharmatech|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fisher Drug Discovery Resource Center|Founder Pharma|Glentham Life Sciences Ltd.|GLIDA, GPCR-Ligand Database|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Hangzhou APIChem Technology|Horrigan Lab, Baylor College of Medicine|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Jamson Pharmachem Technology|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LeadScope|LGC Standards|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Milwaukee Institute for Drug Discovery|MLSMR|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NextBio|NextMove Software|NIH Clinical Collection|NIH/NCATS RNAi|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|Novartis Institutes for BioMedical Research|NovoSeek|Oakwood Products|OChem|ORST SMALL MOLECULE SCREENING CENTER|PATENTSCOPE (WIPO)|Phion Ltd|Pi Chemicals|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Prous Science Drugs of the Future|PubChem Reference Collection|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Shanghai Mathcon Pharmaceutical Co.,LTD.|Small Molecule Screening Facility, UW Madison|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|Sun-shine Chemical|SureChEMBL|Synblock Inc|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Tox21|ToxPlanet|Tractus|U-M Center for Drug Repurposing|Uchem Meditech|UCSC Chemical Screening Center|University of Iowa High-Throughput Screening Core (UIHTS)|University of Kansas High Throughput Screening Laboratory|Vesino Industrial Co., Ltd|Vitas-M Laboratory|Wikidata|Wiley|Win-Win Chemical|Wolves R&D chemical|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic|D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 Inhibitors|C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor|C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C80509 - COX-2 Inhibitor|D002491 - Central Nervous System Agents > D000700 - Analgesics|D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents|D000893 - Anti-Inflammatory Agents|D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors|M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AH - Coxibs|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map
1135
Thymine
thymine|5-methyluracil|65-71-4|2,4-Dihydroxy-5-methylpyrimidine|Thymin|5-methylpyrimidine-2,4(1H,3H)-dione|Thymine anhydrate|2,4(1H,3H)-Pyrimidinedione, 5-methyl-|Thymin (purine base)|5-Methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione|5-methyl-2,4(1H,3H)-pyrimidinedione|5-methyl-1H-pyrimidine-2,4-dione|5-Methyl Uracil|CCRIS 5584|CHEBI:17821|UNII-QR26YLT7LT|QR26YLT7LT|AI3-25479|NSC14705|EINECS 200-616-1|NSC 14705|5-methylpyrimidine-2,4-diol|5-Methylpyrimidine-2,4-dione|4-Hydroxy-5-methylpyrimidin-2(1H)-one|DTXSID4052342|MFCD00006026|NSC-14705|CHEMBL993|Thymine-methyl-d3-6-d|5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE (THYMINE)|123430-67-1|153445-43-3|DTXCID4030914|5-Methyl-2,4-dihydroxypyrimidine|NSC-168663|Thy|2792-47-4|3059-73-2|THYMINE (USP IMPURITY)|THYMINE [USP IMPURITY]|Thymine-t|5 Methyluracil|Thymine (VAN)|(3H)Methylthymidine|Methyl-3H thymidine|ZIDOVUDINE IMPURITY C (EP IMPURITY)|ZIDOVUDINE IMPURITY C [EP IMPURITY]|Thymine (8CI)|Zidovudine Impurity C|5-methy uracil(Thymine)|5-methyl-uracil|Thymine,(S)|THYMINE [INCI]|Thymine, >=99%|THYMINE [MI]|THYMINE [WHO-DD]|STAVUINE IMPURITY A|Epitope ID:167476|SCHEMBL5235|2,4(1H,3H)-Pyrimidinedione, 5-methyl- (9CI)|4(1H)-Pyrimidinone, 2-hydroxy-5-methyl- (9CI)|4(3H)-Pyrimidinone, 2-hydroxy-5-methyl- (9CI)|69497-78-5|5-Methyl-2,4-dioxypyrimidine|2.6-Dioxy-5-methyl-pyrimidin|GTPL4581|SCHEMBL15496760|SCHEMBL16356870|WLN: T6N CNJ BQ DQ E1|2,4(1H,3H)-Pyrimidinedione, 5-methyl-, labeled with tritium|BCP22973|2,3H)-Pyrimidinedione, 5-methyl-|Tox21_303929|BDBM50134397|s9382|STL280241|STL477641|STAVUINE IMPURITY A [WHO-IP]|AKOS000120923|AKOS002337369|AC-7756|AM81332|CCG-266101|CS-W011166|DB03462|HY-W010450|SB57778|ZIDOVUDINE IMPURITY C [WHO-IP]|CAS-65-71-4|CID 5274265|NCGC00357169-01|SY014896|Thymine, Vetec(TM) reagent grade, 99%|2(1H)-Pyrimidinone, 4-hydroxy-5-methyl-|4(1H)-Pyrimidinone, 2-hydroxy-5-methyl-|4(3H)-Pyrimidinone, 2-hydroxy-5-methyl-|DB-016098|DB-268941|DB-268967|DB-272085|DB-272203|NS00001295|T0234|EN300-21969|C00178|T-3845|Thymine, suitable for cell culture, BioReagent|2(1H)-PYRIMIDINONE, 6-HYDROXY-5-METHYL-|A835203|Q171973|SR-01000945223|SR-01000945223-1|036B9F1D-9B61-4CED-967C-BF1DA180E5C2|F0001-1753|Z147641104|InChI=1/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9|691841-57-3
126.110
C5H6N2O2
58.200
195.000
-0.600
9
2
2
0
InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
CC1=CNC(=O)NC1=O
CC1=CNC(=O)NC1=O
RWQNBRDOKXIBIV-UHFFFAOYSA-N
5-methyl-1H-pyrimidine-2,4-dione
126.043
126.043
0
1
0
0
0
0
0
0
0
25758
13573
5400
2D+3D
Thymine
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active
16
155|157|161|165|167|175|192|210|220|222|226|248|274|302|328|330|47311|155106|155120|155299|211081|217732|477229|501986|501987|501988|1149713|1149714|1149715|1159520|1159521|1159523|1159525|1159526|1159527|1159528|1159529|1159531|1159551|1159552|1159555|1224834|1224835|1224836|1224837|1224838|1224839|1224840|1224841|1224842|1224843|1224844|1224845|1224846|1224847|1224848|1224849|1224867|1224868|1224869|1224870|1224871|1224872|1224873|1224874|1224875|1224876|1224877|1224878|1224879|1224880|1224881|1224882|1224883|1224884|1224885|1224886|1224887|1224888|1224889|1224890|1224892|1224893|1224894|1224895|1224896|1248672|1259241|1259242|1259243|1259244|1259247|1259248|1259251|1259364|1259365|1259366|1259367|1259368|1259369|1259377|1259378|1259379|1259380|1259381|1259382|1259383|1259384|1259385|1259386|1259387|1259388|1259390|1259391|1259392|1259393|1259394|1259395|1259396|1259401|1259402|1259403|1259404|1259407|1259408|1259409|1259411|1346784|1346795|1346798|1346799|1346824|1346829|1346859|1346877|1346891|1346924|1346977|1346978|1346979|1346980|1346981|1346982|1347030|1347031|1347032|1347033|1347034|1347035|1347036|1347037|1347038|1347395|1347397|1347398|1347399|1645853|1645854|1645855|1645856|1645857|1645858|1645859|1645860|1671196|1671197|1671198|1671199|1671200|1671201|1794731|1794732|1794733|1794736|1794739|1794740|1794742|1794745|1794746|1794748|1794750|1794751|1794752|1794753|1794755|1794756|1794757|1794758|1794759|1794760|1794761|1794763|1794764|1794765|1794766|1794767|1794768|1794769|1794771|1794772|1794773|1794774|1794775|1794776|1794777|1794779|1794780|1794782|1794783|1794784|1794785|1794786|1794787|1794788|1794789|1794790|1794792|1794794|1794795|1794796|1794798|1794799|1794800|1919968|1919969|1919970|1920063|1920064|1920065|1920067|1920068
20040916
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|A2Z Chemical|AA BLOCKS|AAA Chemistry|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbMole Bioscience|Acadechem|Accela ChemBio Inc.|Aceschem Inc|Achemica|Achemo Scientific Limited|Achemtek|Activate Scientific|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Allbio Pharm Co., Ltd|Amadis Chemical|Ambeed|Ambinter|AN PharmaTech|Anward|Apexmol|Ark Pharm, Inc.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|BenchChem|BePharm Ltd.|BIND|BindingDB|BioChemPartner|BioCrick|BioCyc|Biosynth|BLD Pharm|BOC Sciences|Buhrlage Lab, Dana-Farber Cancer Institute and Novartis Institutes for BioMedical Research (Cambridge, Mass)|Calbiochem|CAPOT|CCSbase|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|ChemDB|Chemenu Inc.|ChemExper Chemical Directory|ChemFaces|Chemical Carcinogenesis Research Information System (CCRIS)|Chemical Synthesis Database|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|CHIRALEN|Clearsynth|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|Crystallography Open Database (COD)|CSNpharm|CymitQuimica|Debye Scientific Co., Ltd|DiscoveryGate|DrugBank|DTP/NCI|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|EMD Millipore|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|EvitaChem|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Founder Pharma|Genetic Toxicology Data Bank (GENE-TOX)|Glentham Life Sciences Ltd.|Golm Metabolome Database (GMD), Max Planck Institute of Molecular Plant Physiology|Google Patents|Hairui Chemical|Hangzhou APIChem Technology|Hangzhou Trylead Chemical Technology|HDH Pharma|Human Metabolome Database (HMDB)|IBM|Immune Epitope Database (IEDB)|Innovapharm|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LeadScope|LEAPCHEM|LGC Standards|Life Chemicals|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|MolCore|Molepedia|MolPort|MP Biomedicals|MTDP|MuseChem|Nature Chemical Biology|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIST Chemistry WebBook|NIST Mass Spectrometry Data Center|NMRShiftDB|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|OChem|OXCHEM CORPORATION|PATENTSCOPE (WIPO)|Phion Ltd|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|PubChem Reference Collection|R&D Chemicals|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|Sinfoo Biotech|SLING Consortium|SMID|Smolecule|SpiroChem|Springer Nature|SpringerMaterials|Starshine Chemical|SureChEMBL|Synblock Inc|Synthink Research Chemicals|Synthonix, Inc.|TargetMol|TCI (Tokyo Chemical Industry)|Tetrahedron Scientific Inc|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thermo Fisher Scientific|Thieme Chemistry|Thomson Pharma|Thoreauchem|TimTec|Tox21|ToxPlanet|Tractus|University of Kansas High Throughput Screening Laboratory|Vitas-M Laboratory|VladaChem|VWR, Part of Avantor|Wikidata|WikiPathways|Wiley|Win-Win Chemical|Wubei-Biochem|Wuhan Atomole Chemicals Co., Ltd.|Wutech|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC|Zjartschem
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COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map
135398635
Guanosine
guanosine|118-00-3|guanine riboside|vernine|Guanozin|Guanosin|Inosine, 2-amino-|USAF CB-11|2-Amino-1,9-dihydro-9-beta-D-ribofuranosyl-6H-purin-6-one|Guanine-9-beta-D-ribofuranoside|9-beta-D-Ribofuranosylguanine|Vernine (VAN)|beta-D-Ribofuranoside, guanine-9|Guanine, 9-beta-D-ribofuranosyl-|Ribofuranoside, guanine-9, beta-D-|2(3H)-Imino-9-beta-D-ribofuranosyl-9H-purin-6(1H)-one|GUANINE-9:BETA-D-RIBOFURANOSIDE|Guo|Inosine, 2-amino- (VAN)|AI3-52065|MFCD00010182|NSC 19994|9-beta-D-ribofuranosyl-guanine|CHEBI:16750|DL-Guanosine|EINECS 204-227-8|2-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one|Guanine, 9-beta-D-ribofuranosyl- (VAN)|UNII-12133JR80S|9-(beta-D-Ribofuranosyl)guanine|6H-Purin-6-one, 2-amino-1,9-dihydro-9-beta-D-ribofuranosyl-|12133JR80S|GR|DTXSID00893055|NSC-19994|2-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3H-purin-6(9H)-one|2-AMINO-9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-6,9-DIHYDRO-1H-PURIN-6-ONE|2-amino-9-beta-D-ribofuranosyl-1,9-dihydro-6H-purin-6-one|GUANOSINE (MART.)|GUANOSINE [MART.]|GUANOSINE (USP IMPURITY)|GUANOSINE [USP IMPURITY]|2-Amino-9-beta-D-ribofuranosyl-1,9-dihydro-6H-purin-6-one (Guanosine)|85-30-3|2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one|2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-6-one|ADENOSINE IMPURITY H (EP IMPURITY)|ADENOSINE IMPURITY H [EP IMPURITY]|9-.beta.-D-ribofuranosylguanine|Ribonucleoside|Guanine, 9.beta.-d-ribofuranosyl-|.beta.-D-Ribofuranoside, guanine-9|3h-guanosine|2-amino-Inosine|1odj|2fqx|9-B-D-RIBOFURANOSYLGUANINE|[3H]-guanosine|Inosine, 2-amino|2-Amino-9-beta-D-ribofuranosyl-1,9-dihydro-6H-purin-6-one; Adenosine Imp. H (EP); Guanosine; Adenosine Impurity H|Guanosine, >=98%|ST057098|GUANOSINE [MI]|GUANOSINE [INCI]|bmse000091|bmse001018|Epitope ID:141493|GUANOSINE [WHO-DD]|9-b-D-ribofuranosyl-Guanine|SCHEMBL21217|2(3H)-Imino-9-.beta.-D-ribofuranosyl-9H-purin-6(1H)-one|b-D-Ribofuranoside guanine-9|9-beta-D-ribofuranosyl guanine|2-Amino-9-beta-D-ribofuranosyl-9H-purine-6(1H)-one|CHEMBL375655|GTPL4567|SGCUT00093|Guanine-9-ss--D-ribofuranoside|SCHEMBL12212184|9-(ss--D-Ribofuranosyl)guanine|9-beta-delta-ribofuranosyl-Guanine|DTXCID601322998|Guanine-9-.beta.-D-ribofuranoside|beta-delta-Ribofuranoside guanine-9|Guanosine, >=97.0% (HPLC)|HY-N0097|STR04471|to_000053|BBL033925|BDBM50366814|s2439|STK801927|AKOS005622500|AKOS007930368|AKOS015896931|AKOS032949764|AM83933|CCG-267277|CS-W020018|DB02857|Ribofuranoside, guanine-9, .beta.-D-|9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-aminohydropurin -6-one|NCGC00142496-01|NCGC00142496-02|BP-58656|DB-029875|G0171|NS00009027|Guanosine, Vetec(TM) reagent grade, >=98%|C00387|EN300-204342|Guanosine, suitable for cell culture, BioReagent|A818517|Q422462|Q-201301|Z1741979723|2-Amino-1,9-dihydro-9-b-D-ribofuranosyl-6H-purin-6-one|2-Amino-9-.beta.-D-ribofuranosyl-9-H-purine-6(1H)-one|2-Amino-1,9-dihydro-9.beta.-d-ribofuranosyl-6H-purin-6-one|2-AMINO-9-.BETA.-D-RIBOFURANOSYL-9H-PURINE-6(1H)-ONE|6H-Purin-6-one, 2-amino-1,9-dihydro-9-beta-D-ribofuranosyl|2-Amino-1,9-dihydro-9-beta-delta-ribofuranosyl-6H-purin-6-one|6H-Purin-6-one, 2-amino-1,9-dihydro-9-.beta.-D-ribofuranosyl-|2-AMINO-9-.BETA.-D-RIBOFURANOSYL-1,9-DIHYDRO-6H-PURIN-6-ONE|(2R,3R,4S,5R)-2-(2-amino-6-hydroxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol|2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one|2-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy-methyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one
283.240
C10H13N5O5
155.000
446.000
-1.900
20
5
7
2
InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N
C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N
NYHBQMYGNKIUIF-UUOKFMHZSA-N
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
283.092
283.092
0
1
0
4
4
0
0
0
0
10882
118186
31919
2D+3D
Guanosine
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
16
875|880|881|884|885|887|889|892|893|894|900|901|902|923|924|995|1030|1379|1452|1454|1457|1460|1463|1467|1468|1469|1471|1476|1477|1478|1479|1490|1519|1766|1768|1811|1865|1948|2101|2107|2112|2147|2451|2472|2517|2528|2546|2549|2551|71649|71650|82319|93194|106497|155467|157569|158514|199616|199747|199751|209954|217433|217743|278354|278355|278356|278357|278366|278367|278376|278377|485290|504327|504845|504847|504865|584546|584547|584550|588379|588579|602332|610951|610952|610953|613867|636715|636716|636717|666648|666651|686978|686979|720532|720533|977611|1136399|1136400|1259312|1259398|1259399|1259423|1296008|1296009|1296048|1296049|1345084|1346986|1346987|1347055|1347142|1347144|1347145|1347159|1347160|1452128|1508620|1645851|1645870|1645876|1645877|1645882|1645883|1645886|1645887|1671188|1671193|1745853|1845191|1845192
20190115
001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|AAA Chemistry|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|Acadechem|Aceschem Inc|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Adooq BioScience|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Alichem|Allbio Pharm Co., Ltd|Amadis Chemical|Ambeed|Ambinter|AN PharmaTech|Angene Chemical|Anward|ApexBio Technology|Apexmol|Aribo Reagent|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|Avantor Inc|AX Molecules Inc|BenchChem|BePharm Ltd.|BIND|BindingDB|BioCrick|BioCyc|Biological Magnetic Resonance Data Bank (BMRB)|Biosynth|BLD Pharm|BOC Sciences|BroadPharm|CCSbase|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|Chemenu Inc.|ChemExper Chemical Directory|ChemFaces|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|Chemodex Ltd.|ChemShuttle|ChemSpider|ChemTik|Chiralblock Biosciences|CHIRALEN|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Crystallography Open Database (COD)|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|Debye Scientific Co., Ltd|DiscoveryGate|DrugBank|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eInhibitors|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|Founder Pharma|Glentham Life Sciences Ltd.|Golm Metabolome Database (GMD), Max Planck Institute of Molecular Plant Physiology|Google Patents|Guri Giaever, Pharmaceutical Sciences, University of British Columbia|Hangzhou Trylead Chemical Technology|Human Metabolome Database (HMDB)|IBM|Immune Epitope Database (IEDB)|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|J&W PharmLab|Japan Chemical Substance Dictionary (Nikkaji)|KCS Online|KEGG|Keith Lab, Institute of Cancer Science, University of Glasgow|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LeadScope|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Molecule Market|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Chemical Biology|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|OXCHEM CORPORATION|Parchem|PATENTSCOPE (WIPO)|Pi Chemicals|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|PubChem Reference Collection|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Shanghai Institute of Organic Chemistry|Sigma-Aldrich|Sinfoo Biotech|SMID|Smolecule|Springer Nature|Starshine Chemical|Structural Genomics Consortium|SureChEMBL|Syntech Labs|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Thoreauchem|TimTec|ToxPlanet|Vitas-M Laboratory|VladaChem|VWR, Part of Avantor|Wikidata|WikiPathways|Win-Win Chemical|Wubei-Biochem|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map
1188
Xanthine
xanthine|69-89-6|2,6-Dihydroxypurine|2,6-dioxopurine|1H-Purine-2,6(3H,7H)-dione|Xanthin|Xanthic oxide|Pseudoxanthine|Isoxanthine|1H-Purine-2,6-diol|9H-Purine-2,6-diol|Purine-2,6-diol|1H-Purine-2,6-dione, 3,7-dihydro-|3,7-dihydropurine-2,6-dione|3,7-Dihydro-1H-purine-2,6-dione|2,6(1,3)-Purinedion|2,6-Dioxo-1,2,3,6-tetrahydropurine|USAF CB-17|Xanthine-13C15N2|9H-xanthine|3,9-dihydro-1H-purine-2,6-dione|XAN|Purine-2(3H),6(1H)-dione|1H-Purine-2,6-dione, 3,9-dihydro-|9H-Purine-2,6-(1H,3H)-dione|Purine-2,6-(1H,3H)-dione|NSC 14664|EPA Pesticide Chemical Code 116900|Purine-2,6(1H,3H)-dione|1262670-81-4|CHEBI:17712|AI3-52268|7H-purine-2,6-diol|9H-Purine-2,6(1H,3H)-dione|MFCD00078453|CHEMBL1424|1AVZ07U9S7|3,9-dihydropurine-2,6-dione|2,3,6,9-tetrahydro-1H-purine-2,6-dione|NSC-14664|1H-purine-2,6(3H,9H)-dione|Xanthine (VAN)|CCRIS 994|EINECS 200-718-6|UNII-1AVZ07U9S7|Dioxopurine|Dioxypurin|xanthine (2,6-dihydroxypurine)|7H-xanthine|2-Oxohypoxanthine|2,6-dioxypurine|Xanthine,(S)|2,6-Dihydroxypurin|Xanthine, 98%|Purine-2,3H)-dione|Xanthine, >=99%|2uz9|XANTHINE [INCI]|XANTHINE [MI]|bmse000127|MolMap_000070|XANTHINE [WHO-DD]|Xanthine, p.a., 99%|9H-Purine-2,3H)-dione|Cambridge id 5126190|SCHEMBL4965|Xanthine (VAN) (8CI)|2,2,3,6-tetrahydropurine|Oprea1_474175|1H,3H,7H-XANTHINE|1H,3H,9H-XANTHINE|Xanthine, BioUltra, >=99%|AMY239|GTPL4557|DTXSID4035120|3,7-dihydro-purine-2,6-dione|3,9-Dihydro-purine-2,6-dione|BDBM82009|CHEBI:48517|LRFVTYWOQMYALW-UHFFFAOYSA-|2,6-Dihydroxypurine; Isoxanthine|HMS1659G11|HMS3604G12|BCP15189|CAS_1188|NSC_1188|NSC14664|1H-purine-2,6(3H, 7H)-dione|BBL028159|BDBM50227193|STL064827|STL453051|AKOS000498219|AKOS005208756|AKOS015896921|AC-8422|AM83905|CCG-266216|CS-W018105|DB02134|FS-3231|HY-W017389|SDCCGMLS-0065805.P001|CID 5280342|2,6-Dioxo-1,2,3, 6-tetrahydropurine|NCGC00164338-01|SY030113|DB-015929|2,3,6,7-tetrahydro-1H-purine-2,6-dione|NS00001219|S3693|X0004|EN300-18289|C00385|D71218|Q50980|X-0950|AB00171825-02|A836687|Z57825360|92AB342E-6550-4B2B-AD76-E75AC1C2EB45|5-Amino-1-(3,4-dichlorophenyl)-1H-pyrazole4-carbonitrile|Xanthine, >=99.5% (HPLC), purified by recrystallization|InChI=1/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
152.110
C5H4N4O2
86.900
217.000
-0.700
11
3
3
0
InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
C1=NC2=C(N1)C(=O)NC(=O)N2
C1=NC2=C(N1)C(=O)NC(=O)N2
LRFVTYWOQMYALW-UHFFFAOYSA-N
3,7-dihydropurine-2,6-dione
152.033
152.033
0
1
0
0
0
0
0
0
0
18515
58961
21957
2D+3D
Xanthine
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
16
155|157|161|165|167|175|248|270|608|1033|1469|1479|1549|1552|1637|1648|2842|32155|55471|66419|74022|75917|187182|202405|219846|227877|239883|252792|252796|274549|274550|274551|274554|274562|274563|363284|363291|453742|453743|453745|453746|485350|485395|493033|502389|502390|504770|540299|588513|588514|588515|588516|588526|588527|588532|588533|588534|588535|588536|588537|588541|588543|588544|588545|588546|588547|651741|651743|651749|651751|651777|651778|651828|651838|705460|720636|720641|720653|720659|720717|743288|743292|759421|759422|977610|1146438|1146439|1146449|1159537|1159607|1224905|1259354|1259407|1259408|1259409|1272365|1347080|1508586|1645843|1671202|1794731|1794732|1794733|1794735|1794736|1794738|1794739|1794740|1794742|1794745|1794746|1794748|1794751|1794752|1794753|1794754|1794755|1794756|1794757|1794758|1794759|1794760|1794761|1794764|1794765|1794766|1794767|1794768|1794769|1794771|1794772|1794773|1794774|1794776|1794777|1794778|1794779|1794780|1794781|1794782|1794783|1794784|1794785|1794786|1794787|1794789|1794790|1794792|1794794|1794795|1794798|1794799|1794800|1794808|1918969
20040916
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8955
Pregnenolone
pregnenolone|145-13-1|3beta-Hydroxypregn-5-en-20-one|Arthenolone|Pregnetan|Pregneton|Pregnolon|Prenolon|Regnosone|Skinostelon|Enelone|5-Pregnen-3beta-ol-20-one|Natolone|Bina-Skin|delta5-Pregnenolone|5-Pregnen-3-beta-ol-20-one|(3BETA)-3-HYDROXYPREGN-5-EN-20-ONE|5-Pregnenolone|3-beta-Hydroxypregn-5-en-20-one|NSC 1616|Prestwick_859|3beta-Hydroxy-5-pregnen-20-one|Pregn-5-en-20-one, 3-hydroxy-, (3beta)-|Prestwick3_000546|Pregnenolone (JAN/INN)|Pregn-5-en-20-one, 3beta-hydroxy-|DTXSID1036541|Pregn-5-ene-3beta-ol-20-one|CHEBI:16581|73R90F7MQ8|3.beta.-Hydroxypregn-5-en-20-one|1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone|Pregnenolone (3beta-Hydroxypregn-5-en-20-one)|5-Pregnen-3beta;-ol-20-one|DTXCID9016541|Pregnenolona|Pregnenolonum|MFCD00003628|Pregnenolone [INN:BAN]|Pregnenolonum [INN-Latin]|Pregnenolona [INN-Spanish]|PLO|SMR000112161|.DELTA.5-Pregnenolone|SR-05000002128|EINECS 205-647-4|3-Hydroxypregn-5-en-20-one|5-Pregnen-3.beta.-ol-20-one|Pregnolone|NSC-1616|UNII-73R90F7MQ8|NSC-18158|Pregn-5-en-20-one, 3-hydroxy-, (3b)-|Pregn-5-en-20-one, 3-hydroxy-, (3-beta)-|NCGC00163125-02|Pregn-5-en-20-one, 3.beta.-hydroxy-|CAS-145-13-1|Pregn-5-en-20-one, 3-beta-hydroxy-|Prestwick0_000546|Prestwick1_000546|Prestwick2_000546|Spectrum5_002057|PREGNENOLONE [MI]|PREGNENOLONE [INN]|PREGNENOLONE [JAN]|bmse000476|5-Pregnen-3b-ol-20-one|PREGNENOLONE [VANDF]|BIDD:PXR0019|BSPBio_000591|MLS002153868|MLS002207138|Pregn-5-en-3b-ol-20-one|PREGNENOLONE [WHO-DD]|SCHEMBL129572|Pregn-5-ene-3b-ol-20-one|SPBio_002512|3-Hydroxy-5-pregnen-20-one|3b-Hydroxy-5-pregnen-20-one|3b-Hydroxypregn-5-en-20-one|BPBio1_000651|CHEMBL253363|GTPL2376|Pregn-5-en-3beta-ol-20-one|delta5-Pregnen-3beta-ol-20-one|3beta-Hydroxy-5-pregenen-20-one|3beta-Hydroxy-5-pregnene-20-one|3beta-hydroxypregn-5-ene-20-one|HMS1569N13|HMS2090J15|HMS2096N13|HMS2268A04|HMS3713N13|HMS3884G16|Delta5-Pregenen-3beta-ol-20-one|Delta5-Pregnene-3beta-ol-20-one|1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-hydroxy-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone|BCP23361|HY-B0151|Tox21_112011|Tox21_302141|BDBM50375319|CMC_13393|LMST02030088|Pregnenolone (progesterone precursor)|s1914|3beta-Hydroxy-delta5-pregnen-20-one|AKOS015841076|AKOS015895418|Tox21_112011_1|(3b)-3-hydroxy-Pregn-5-en-20-one|CCG-220546|CS-1970|DB02789|DS-7794|Pregnenolone 0.1 mg/ml in Acetonitrile|.DELTA.5-Pregnen-3.beta.-ol-20-one|5-Pregnen-3beta-ol-20-one, >=98%|NCGC00163125-03|NCGC00163125-04|NCGC00163125-06|NCGC00255436-01|AC-12806|AC-32630|BCP0726000217|3-Hydroxypregn-5-en-20-one, (3.beta.)-|3.beta.-Hydroxy-.DELTA.5-pregnen-20-one|NS00014904|P0786|(3alpha,8alpha)-3-hydroxypregn-5-en-20-one|C01953|D00143|17beta-[1-Ketoethyl]-Delta5-androsten-3beta-ol|EN300-7388669|Pregn-5-en-20-one, 3-hydroxy-, (3.beta.)-|Q412158|J-008059|SR-05000002128-4|SR-05000002128-5|.DELTA. SUP(5)-PREGNEN-3.BETA.-OL-20-ONE|BRD-K43880410-001-14-4|0F6367C4-E1FA-4AEC-9846-7BCC5ADA3417|Z2235801892|PREGN-5-EN-20-ONE, 3-(3-CARBOXY-, (3.BETA.)-|17.BETA.-(1-KETOETHYL)-.DELTA. SUP(5)-ANDROSTEN-3.BETA.-OL|1-((3S,8S,10R,13S,17S)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-ethanone|1-((3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethan-1-one|1-[(1S,3aS,3bS,7S,9aR,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethan-1-one|1-[(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)]ethanone
316.500
C21H32O2
37.300
550.000
4.200
23
1
2
1
InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
ORNBQBCIOKFOEO-QGVNFLHTSA-N
1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
316.24
316.24
0
1
0
7
7
0
0
0
0
9175
10545
3415
2D+3D
Pregnenolone
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
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|1346378|1346428|1346784|1346795|1346798|1346799|1346824|1346829|1346859|1346877|1346891|1346924|1346977|1346978|1346979|1346980|1346981|1346982|1346983|1346984|1346985|1346986|1346987|1347030|1347031|1347032|1347033|1347034|1347035|1347036|1347037|1347038|1347041|1347053|1347055|1347056|1347060|1347061|1347062|1347063|1347064|1347065|1347066|1347067|1347068|1347070|1347071|1347074|1347075|1347076|1347080|1347082|1347083|1347085|1347086|1347089|1347090|1347091|1347092|1347093|1347094|1347095|1347096|1347097|1347098|1347099|1347100|1347101|1347102|1347103|1347104|1347105|1347106|1347107|1347108|1347120|1347131|1347154|1347395|1347397|1347398|1347399|1347407|1347411|1347424|1347425|1376808|1409594|1409598|1479145|1479147|1479149|1479150|1508586|1508602|1508614|1508616|1508620|1508623|1508624|1508626|1508630|1618237|1618238|1640020|1645758|1645839|1645840|1645841|1645842|1645843|1645845|1645846|1645851|1645870|1645876|1645877|1645882|1645883|1645886|1645887|1671188|1671190|1671193|1671194|1671196|1671197|1671198|1671199|1671200|1671201|1671463|1671498|1745845|1745856|1745857|1845191|1845192|1918969|1918990|1919968|1919969|1919970|1920062|1920063|1920064|1920065|1920067|1920068
20050601
001Chemical|10X CHEM|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Ace Therapeutics|Achemtek|AHH Chemical co.,ltd|AKos Consulting & Solutions|Alfa Chemistry|AN PharmaTech|AstaTech, Inc.|Aurora Fine Chemicals LLC|AvaChem Scientific|BePharm Ltd.|BIDD|BIND|BindingDB|BioChemPartner|BioCyc|Biological Magnetic Resonance Data Bank (BMRB)|Biosynth|BOC Sciences|Boerchem|Broad Institute|CCSbase|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|Chemenu Inc.|ChemExper Chemical Directory|ChemFaces|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|Clinivex|Collaborative Drug Discovery, Inc.|Comparative Toxicogenomics Database (CTD)|Crystallography Open Database (COD)|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|DrugBank|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|Enamine|eNovation Chemicals|EPA DSSTox|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|Fredberg Lab, Harvard T.H. Chan School of Public Health|Glentham Life Sciences Ltd.|Golm Metabolome Database (GMD), Max Planck Institute of Molecular Plant Physiology|Google Patents|Hangzhou APIChem Technology|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|LabNetwork, a WuXi AppTec Company|LeadScope|LGC Standards|LIPID MAPS|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|MLSMR|Molecule Market|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Chemical Biology|NCBI Structure|NextBio|NextMove Software|NIH/NCATS RNAi|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|NovoSeek|OChem|OXCHEM CORPORATION|Parchem|PATENTSCOPE (WIPO)|PDSP|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|Sinfoo Biotech|Small Molecule Screening Facility, UW Madison|SMID|Southern Research Institute|Springer Nature|SpringerMaterials|Starshine Chemical|SureChEMBL|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Tox21|ToxPlanet|UCLA Molecular Screening Shared Resource|University of Kansas High Throughput Screening Laboratory|VladaChem|VWR, Part of Avantor|W&J PharmaChem|Wikidata|WikiPathways|Wiley|Wubei-Biochem|Wutech|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones|C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map
637568
Dimethyl Fumarate
Dimethyl fumarate|624-49-7|Tecfidera|(E)-Dimethyl fumarate|Dimethylfumarate|Methyl fumarate|Fumaric acid, dimethyl ester|Fumaderm|Dimethyl (E)-but-2-enedioate|Fumaric acid dimethyl ester|BG-12|Boletic acid dimethyl ester|Panaclar|Dimethyl trans-ethylenedicarboxylate|trans-Butenedioic acid dimethyl ester|Allomaleic acid dimethyl ester|BG 12 compound|23055-10-9|dimethyl (2E)-but-2-enedioate|BG00012|trans-1,2-Ethylenedicarboxylic acid dimethyl ester|2-Butenedioic acid (E)-, dimethyl ester|BG-00012|FAG-201|BG 00012|AZL O 211089|AZL-O-211089|NSC-25942|Dimethylester kyseliny fumarove|NSC-167432|Dimethyl fumar|CHEBI:76004|(E)-but-2-enedioic acid dimethyl ester|dimethyl-fumarate|BG 12|FP187|Dimethyl fumarate [USAN]|2-Butenedioic acid (2E)-, dimethyl ester|2-Butenedioic acid, dimethyl ester|LAS41008|EINECS 210-849-0|UNII-FO2303MNI2|FP-187|LAS-41008|NSC 25942|TL 353|NSC 167432|AZL-0211089|BRN 0774590|FO2303MNI2|1,2-bis(methoxycarbonyl)-trans-ethylene|Dimethyl 2-butenedioate|AI3-07872|HSDB 7725|BG 12 [Fumarate]|BG-12 [Fumarate]|Ethylene, 1,2-bis(methoxycarbonyl)-, trans-|Fumaric acid-dimethyl ester|2-BUTENEDIOIC ACID, DIMETHYL ESTER, (E)-|Dimethyl (2e)-2-butenedioate|2-butenedioic acid, (2E)-, dimethyl ester|dimethyl (~{E})-but-2-enedioate|4-02-00-02205 (Beilstein Handbook Reference)|But-2-enedioic acid, dimethyl ester|MFCD00064438|BG 12 (Fumarate)|BG-12 (Fumarate)|AZL 0 211089|Dimethyl fumarate (USAN)|2-Butenedioic acid (2E)-, 1,4-dimethyl ester|WLN: 1OV1U1VO1 -T|Fumaric acid-dimethyl ester 1000 microg/mL in Acetonitrile|BIS-METHYL ESTER|Fumarate, Dimethyl|Ethylene,2-bis(methoxycarbonyl)-, trans-|FAG201|FAG 201|Dimethylester kyseliny fumarove [Czech]|1,4-dimethyl but-2-enedioate|FUMARIC ACID DIMETHYL ESTER (1,1,1,8,8,8-D6)|Tecfidera (TN)|Dimethyl fumarate, 97%|(E/Z)-Dimethyl fumarate|dimethyl trans-butenedioate|Dimethyl (E)-Butenedioate|Dimethyl (E)-butenedionate|SCHEMBL41835|SCHEMBL41836|DIMETHYL FUMARATE [MI]|Dimethyl fumarate (JAN/USAN)|GTPL7045|DIMETHYL FUMARATE [JAN]|CHEMBL2107333|DIMETHYL FUMARATE [HSDB]|DTXSID4060787|DIMETHYL FUMARATE [VANDF]|2-Butenedioic acid, dimethylester|But-2-enedioic aciddimethyl ester|HMS3264D14|Pharmakon1600-01506154|DIMETHYL FUMARATE [WHO-DD]|NSC25942|BDBM50504654|Fumaric acid, dimethyl ester (8CI)|NSC167432|NSC760139|s2586|STK039379|Dimethyl ester(E)-2-Butenedioic acid|(E)-CH3OC(O)CH=CHC(O)OCH3|1,4-dimethyl (2E)-but-2-enedioate|AKOS000121333|CCG-213618|CS-0909|DB08908|Dimethyl ester(2E)-2-Butenedioic acid|DIMETHYL FUMARATE [ORANGE BOOK]|NSC-760139|(E)-2-Butenedioic Acid, Dimethyl Ester|HY-17363|LS-13141|2-Butenedioic acid, dimethyl ester, (2E)-|CS-0369103|F0069|SW219154-1|EN300-16090|D03846|EN300-305306|H11241|AB00172980_03|AB00172980_04|Dimethyl fumarate, Vetec(TM) reagent grade, 97%|Q418123|SR-01000944222|SR-01000944222-1|trans-1, 2-Ethylenedicarboxylic acid dimethyl ester|BRD-K31111078-001-01-8|Z49500377|F0001-1675|Dimethyl fumarate, certified reference material, TraceCERT(R)|12287-98-8|EOU
144.120
C6H8O4
52.600
141.000
0.700
10
0
4
4
InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
COC(=O)/C=C/C(=O)OC
COC(=O)C=CC(=O)OC
LDCRTTXIJACKKU-ONEGZZNKSA-N
dimethyl (E)-but-2-enedioate
144.042
144.042
0
1
0
0
0
0
1
1
0
3709
39414
15932
2D+3D
Dimethyl Fumarate
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active
16
155|157|161|165|167|175|248|651828|651834|757414|757415|757416|757417|1063372|1136542|1136544|1136546|1136547|1136549|1136551|1136553|1136555|1136557|1136559|1136561|1136563|1136565|1136567|1136569|1136572|1224863|1230959|1230961|1230962|1230963|1230964|1230965|1230966|1259251|1259397|1259398|1259416|1259421|1259423|1345086|1347060|1347061|1347062|1347063|1347064|1347065|1347066|1347067|1347068|1347080|1347411|1348749|1348750|1409598|1409605|1409606|1432751|1432752|1432754|1432755|1432756|1432759|1432760|1432761|1432763|1447605|1447611|1447613|1447614|1447615|1447620|1447621|1447676|1447677|1508614|1517970|1519148|1622564|1622565|1622566|1622567|1622568|1622569|1622602|1622603|1622604|1622605|1622606|1622607|1622640|1622641|1640020|1645758|1645845|1645846|1645870|1645876|1645877|1671498|1687062|1687064|1687065|1687066|1687067|1687068|1687069|1687071|1726792|1726793|1728770|1763199|1763200|1763201|1794731|1794732|1794733|1794735|1794736|1794738|1794739|1794740|1794742|1794745|1794746|1794748|1794750|1794751|1794752|1794753|1794754|1794755|1794756|1794757|1794759|1794760|1794761|1794763|1794764|1794767|1794768|1794769|1794771|1794772|1794773|1794774|1794775|1794776|1794777|1794779|1794780|1794781|1794782|1794783|1794784|1794785|1794786|1794787|1794788|1794789|1794790|1794792|1794793|1794794|1794795|1794796|1794798|1794799|1794800|1822759|1845191|1845192|1900358|1900359|1918969
20050326
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemtek|Acmec Biochemical|Activate Scientific|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AKos Consulting & Solutions|Alfa Chemistry|Alichem|Ambeed|Ambinter|AN PharmaTech|ApexBio Technology|Aribo Reagent|Ark Pharm, Inc.|Aromsyn catalogue|AstaTech, Inc.|Aurum Pharmatech LLC|BenchChem|Bic Biotech|BindingDB|BioCrick|BLD Pharm|BOC Sciences|Boerchem|Broad Institute|Center for Chemical Genomics, University of Michigan|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|Chemenu Inc.|ChemExper Chemical Directory|Chemhere|Chemical Synthesis Database|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|ChemMol|ChemShuttle|ChemSpider|Clearsynth|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Crystallography Open Database (COD)|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|DrugBank|DrugCentral|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|EvitaChem|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|Founder Pharma|Frinton Laboratories|Glentham Life Sciences Ltd.|Google Patents|Human Metabolome Database (HMDB)|Hunan Huateng Pharmaceutical Co., Ltd.|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LeadScope|LGC Standards|Life Chemicals|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Molepedia|MolMall|MolPort|MuseChem|Nature Chemical Biology|Nature Chemistry|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIH/NCATS RNAi|NIST Chemistry WebBook|NIST Mass Spectrometry Data Center|NMRShiftDB|NORMAN Suspect List Exchange|Novartis Institutes for BioMedical Research|NovoSeek|Oakwood Products|Parchem|PATENTSCOPE (WIPO)|Petrascheck Lab, The Scripps Reserach Institute, Department of Molecular Medicine|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Prous Science Drugs of the Future|PubChem Reference Collection|R&D Chemicals|RR Scientific|Santa Cruz Biotechnology, Inc.|Selleck Chemicals|Sigma-Aldrich|Southern Research Institute|Springer Nature|SpringerMaterials|Starshine Chemical|SureChEMBL|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Thoreauchem|TimTec|Tocris Bioscience|ToxPlanet|Tractus|UCSC Chemical Screening Center|University of Iowa High-Throughput Screening Core (UIHTS)|University of Kansas High Throughput Screening Laboratory|Vitas-M Laboratory|VladaChem|VWR, Part of Avantor|Wikidata|Wiley|Wubei-Biochem|Wutech|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
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D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents|C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent|L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants|D011838 - Radiation-Sensitizing Agents|D003879 - Dermatologic Agents|C78284 - Agent Affecting Integumentary System > C29708 - Anti-psoriatic Agent|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map, clinicaltrial, clinicaltrials, clinical trial, clinical trials
13711
2'-Deoxycytidine
2'-deoxycytidine|deoxycytidine|951-77-9|CYTIDINE, 2'-DEOXY-|dCYD|Deoxyribose cytidine|Cytosine deoxyriboside|4-Amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one|207121-53-7|Desoxycytidin [German]|Cytosine, deoxyribonucleoside|Doxecitine|d-cytidine|1beta-2'-Deoxyribofuranosylcytosine, d-|1-(2-Deoxy-beta-D-ribofuranosyl)cytosine|4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one|DC|CHEBI:15698|0W860991D6|MFCD00006547|Desoxycytidine|56905-41-0|Deoxycytidine;Cytosine deoxyriboside;Deoxyribose cytidine|Desoxycytidin|4-Amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-2(1H)-pyrimidinone|2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-|4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one|2'-deoxy-cytidine|EINECS 213-454-1|BRN 0087567|deoxy-Cytidine|2-Deoxycytidine|2' Deoxycytidine|2-deoxy-Cytidine|UNII-0W860991D6|4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one|Cytidine, 2'-deoxy-, labeled with tritium|DOXECITINE [INN]|DOXECITINE [USAN]|DEOXYCYTIDINE [INCI]|SCHEMBL23178|4-25-00-03662 (Beilstein Handbook Reference)|2'-dC|CHEMBL66115|DTXSID70883620|4-amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one|HY-D0184|BDBM50367094|HG1097|2'-Deoxycytidine, >=99% (HPLC)|AKOS015896791|AC-8210|AM83951|DB02594|1-(2-Deoxy-b-D-ribofuranosyl)cytosine|4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one|NCGC00142493-01|AS-14313|BP-58643|1-(2-deoxy-.beta.-d-ribofuranosyl)cytosine|CS-0010105|D3583|MT-1621 COMPONENT 2'-DEOXYCYTIDINE|NS00120718|1-(2-Deoxy-beta-delta-ribofuranosyl)cytosine|C00881|EN300-6477283|A845205|Q422504|1-(2-deoxy-beta-D-erythro-pentofuranosyl)-Cytosine|J-700038|BRD-K91822704-001-01-9|1-(2-deoxy-beta-delta-erythro-pentofuranosyl)-Cytosine|Z3072884208|4-Amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)-2(1H)-pyrimidinone|4-amino-1-(2-deoxy-.beta.-d-erythro-pentofuranosyl)-2(1h)-pyrimidinone|4-Amino-1-(2-deoxy-beta-delta-erythro-pentofuranosyl)-2(1H)-pyrimidinone
227.220
C9H13N3O4
108.000
355.000
-1.800
16
3
4
2
InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O
C1C(C(OC1N2C=CC(=NC2=O)N)CO)O
CKTSBUTUHBMZGZ-SHYZEUOFSA-N
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
227.091
227.091
0
1
0
3
3
0
0
0
0
21709
37508
10024
2D+3D
Deoxycytidine
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
16
875|880|881|884|885|887|889|892|893|894|900|901|902|923|924|995|1030|1379|1452|1454|1457|1460|1463|1467|1468|1469|1471|1476|1477|1478|1479|1490|1519|1766|1768|1865|1948|2101|2107|2112|2147|2451|2472|2517|2528|2546|2549|2551|20871|32065|32066|55385|55974|55976|56586|56587|97846|97848|98851|100244|105747|105750|105756|105762|105764|105767|126594|126600|126601|210535|210536|210863|210864|210866|210890|278932|278933|278936|278937|278947|278949|282609|334938|334944|342012|342013|342517|369218|381856|381857|399372|431226|431228|458192|485290|504327|504845|504847|504865|588379|588579|602332|618865|618875|618876|618877|686978|686979|720532|720533|1122015|1122016|1122017|1122018|1122019|1124526|1124527|1135813|1136932|1136933|1240601|1240602|1240603|1259408|1259416|1259421|1272365|1645882|1645883|1645886|1645887|1671498|1919859
20050601
001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Alichem|Amadis Chemical|Ambeed|Ambinter|AN PharmaTech|Angene Chemical|Anward|ApexBio Technology|Apexmol|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|AX Molecules Inc|BenchChem|BePharm Ltd.|Bic Biotech|BIND|BindingDB|BioCrick|BioCyc|Biosynth|BLD Pharm|BOC Sciences|Broad Institute|BroadPharm|CCSbase|ChangChem|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|Chemenu Inc.|ChemExper Chemical Directory|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|CHIRALEN|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|CSNpharm|CymitQuimica|DAOGE BIOPHARMA|Davey Lab, Department of Microbiology, NEIDL, Boston University|DiscoveryGate|DrugBank|DSL Chemicals|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|EvitaChem|FDA Global Substance Registration System (GSRS)|Founder Pharma|Fragmenta|Genetic Toxicology Data Bank (GENE-TOX)|Glentham Life Sciences Ltd.|Google Patents|Hangzhou APIChem Technology|Hangzhou Trylead Chemical Technology|Hefei Hirisun Pharmatech Co., Ltd|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|ISpharm|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LeadScope|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|MLSMR|Molecule Market|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|OChem|OXCHEM CORPORATION|Parchem|PATENTSCOPE (WIPO)|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Sigma-Aldrich|Sinfoo Biotech|SLING Consortium|Small Molecule Screening Facility, UW Madison|SMID|Smolecule|Springer Nature|Starshine Chemical|SureChEMBL|Syntech Labs|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|Thieme Chemistry|Thomson Pharma|Thoreauchem|TimTec|ToxPlanet|Tractus|VladaChem|VWR, Part of Avantor|W&J PharmaChem|Wikidata|WikiPathways|Wiley|Wilshire Technologies|Win-Win Chemical|Wolves R&D chemical|Wubei-Biochem|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
C26170 - Protective Agent > C2459 - Chemoprotective Agent|C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map
13712
2'-Deoxyuridine
2'-DEOXYURIDINE|951-78-0|deoxyuridine|Uracil deoxyriboside|2-Deoxyuridine|1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione|Uridine, 2'-deoxy-|Deoxyribose uracil|2'-Desoxyuridine|dURD|2'-Deoxyuridine-1'-d|1-(2-Deoxy-beta-D-ribofuranosyl)uracil|W78I7AY22C|CHEBI:16450|1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione|MFCD00006527|CCRIS 2832|NSC 23615|1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione|Desoxyuridine|1-(2-Deoxy-beta-D-erythro-pentofuranoxyl)uracil|Uracil desoxyuridine|DUR|2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-beta-D-ribofuranosyl)-|2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-beta-D-erythro-ribofuranosyl)-|EINECS 213-455-7|BRN 0024433|UNII-W78I7AY22C|NSC-23615|1-(2-deoxy-beta-D-erythro-pentofuranosyl)uracil|Uridinie, 2'-deoxy-|2yb0|DEOXYURIDINE [MI]|bmse000320|SCHEMBL28844|MLS001066344|CHEMBL353955|2 inverted exclamation marka-dU|2'-Deoxyuridine, >=98.5%|AMY6955|DTXSID30883621|HMS2267D16|HY-D0186|s5505|ZINC00155696|AKOS015833069|AKOS015896792|1-(2-Deoxy-ss-D-ribofuranosyl)uracil|CCG-247504|CS-W019820|DB02256|PS-7750|1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydro-furan-2-yl)pyrimidine-2,4(1H,3H)-dione|1-[(4S,2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dihydropyrimidine-2, 4-dione|NCGC00142492-01|BP-58660|SMR000112296|1-(2-Deoxy-D-erythro-pentofuranosyl)uracil|D0060|NS00014663|1-(2-Deoxy-delta-erythro-pentofuranosyl)uracil|C00526|O10766|EN300-7374520|Q419140|J-700048|1-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)URACIL|E73B1553-A13A-4989-B045-A589A8F2B9DC|1-(2-deoxy-beta-D-ribofuranosyl)-2,4(1H,3H)-Pyrimidinedione|1-(2-deoxy-beta-delta-ribofuranosyl)-2,4(1H,3H)-Pyrimidinedione|1-(2-deoxy-beta-D-erythro-pentofuranosyl)-2,4(1H,3H)-Pyrimidinedione|1-(2-deoxy-beta-delta-erythro-pentofuranosyl)-2,4(1H,3H)-Pyrimidinedione|1-((2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1-H-pyrimidine-2,4-dione|1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
228.200
C9H12N2O5
99.100
343.000
-1.600
16
3
5
2
InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1
C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O
C1C(C(OC1N2C=CC(=O)NC2=O)CO)O
MXHRCPNRJAMMIM-SHYZEUOFSA-N
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
228.075
228.075
0
1
0
3
3
0
0
0
0
4504
22119
6366
2D+3D
Deoxyuridine
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
16
875|880|881|884|885|887|889|892|893|894|900|901|902|923|924|995|1030|1376|1379|1385|1422|1452|1454|1457|1460|1463|1465|1467|1468|1469|1471|1476|1477|1478|1479|1490|1511|1519|1529|1530|1531|1532|1554|1621|1626|1662|1663|1672|1766|1768|1813|1814|1832|1850|1863|1865|1875|1885|1899|1903|1906|1910|1947|1948|1950|1956|1962|1974|1979|1987|2016|2023|2025|2029|2052|2057|2066|2094|2097|2098|2099|2101|2107|2112|2129|2130|2147|2156|2174|2177|2216|2221|2227|2234|2235|2237|2239|2247|2280|2300|2380|2391|2435|2445|2451|2462|2472|2517|2520|2521|2524|2528|2540|2544|2546|2549|2550|2551|2553|2557|2563|2599|2606|2629|2642|2648|2650|2661|2690|2716|2717|2718|2751|2796|2797|2805|2806|2825|56582|126601|139989|139990|139991|142331|144640|210695|210718|210869|210890|210893|210894|211066|216185|232840|248676|333392|333393|333394|381854|381855|409954|409956|434955|434962|434973|434989|435003|435005|435022|435030|449728|449739|449762|449763|449768|463079|463082|463104|463111|463141|463165|463190|463195|463210|463212|485270|485272|485273|485275|485290|485317|485346|488839|488847|488862|488890|488895|488896|488922|488965|488966|488975|488977|489030|489031|492953|492956|492972|493005|493008|493011|493012|493036|493087|493091|493098|493131|493160|493187|493244|504326|504327|504329|504339|504357|504406|504408|504411|504414|504423|504441|504444|504454|504462|504490|504523|504558|504577|504582|504621|504634|504648|504690|504692|504700|504707|504720|504734|504766|504775|504803|504845|504847|504865|504884|504891|504894|504937|527281|527283|527285|540253|540263|540267|540295|540303|540308|540317|540336|540364|588335|588352|588354|588358|588379|588405|588413|588436|588453|588456|588458|588473|588475|588478|588489|588492|588493|588497|588499|588501|588511|588549|588579|588590|588591|588621|588627|588664|588674|588675|588676|588689|588692|588726|588727|588795|588814|588819|588832|588850|588852|588855|588856|602123|602141|602162|602163|602179|602229|602233|602244|602247|602248|602250|602252|602261|602274|602281|602310|602313|602329|602332|602340|602342|602346|602363|602393|602396|602399|602405|602410|602429|602438|602440|602449|602481|623870|623877|623901|624037|624038|624040|624125|624126|624127|624168|624169|624170|624171|624172|624173|624178|624202|624204|624246|624256|624263|624267|624268|624288|624291|624296|624297|624304|624330|624352|624354|624377|624416|624417|624418|624463|624464|624465|624466|624467|624483|651550|651560|651572|651602|651635|651636|651640|651644|651647|651654|651658|651661|651687|651699|651702|651704|651710|651711|651718|651719|651723|651724|651725|651768|651800|651819|651820|651821|651957|651958|651965|651999|652010|652017|652025|652039|652048|652051|652054|652067|652104|652105|652106|652126|652162|652163|652257|686940|686964|686970|686971|686978|686979|686996|687014|687016|720504|720508|720509|720511|720532|720533|720542|720543|720551|720553|720579|720580|720582|720596|720647|720648|720700|720702|720704|720707|720708|720709|720711|743126|743255|743266|743269|743279|743287|743398|977611|1053175|1053197|1124530|1124531|1135813|1135814|1135815|1136939|1159524|1159606|1159607|1224865|1259309|1259311|1259312|1259313|1259318|1259407|1259408|1259415|1272365|1346378|1347041|1347056|1347071|1347074|1347075|1347076|1347082|1347083|1347085|1347086|1347120|1347131|1593592|1645882|1645883|1645886|1645887|1671190|1671463|1745845|1920062
20050624
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|A&J Pharmtech CO., LTD.|AbaChemScene|abcr GmbH|ABI Chem|Acadechem|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Ambeed|Ambinter|Angene Chemical|Anward|Apexmol|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurum Pharmatech LLC|AX Molecules Inc|BenchChem|BePharm Ltd.|BerrChemical|BioCrick|BioCyc|Biological Magnetic Resonance Data Bank (BMRB)|Biopharma PEG Scientific Inc|Biosynth|BLD Pharm|BOC Sciences|BroadPharm|CCSbase|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|Chemenu Inc.|ChemExper Chemical Directory|Chemical Carcinogenesis Research Information System (CCRIS)|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|Clinivex|Collaborative Drug Discovery, Inc.|Combi-Blocks|CSNpharm|CymitQuimica|DiscoveryGate|DrugBank|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|Elsa Biotechnology|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|FDA Global Substance Registration System (GSRS)|Founder Pharma|Genetic Toxicology Data Bank (GENE-TOX)|Glentham Life Sciences Ltd.|Golm Metabolome Database (GMD), Max Planck Institute of Molecular Plant Physiology|Google Patents|Hangzhou Trylead Chemical Technology|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Keith Lab, Institute of Cancer Science, University of Glasgow|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LeadScope|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|MLSMR|Molecule Market|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|OChem|OXCHEM CORPORATION|PATENTSCOPE (WIPO)|Pi Chemicals|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Shanghai Institute of Organic Chemistry|Sigma-Aldrich|Sinfoo Biotech|SLING Consortium|Small Molecule Screening Facility, UW Madison|SMID|Smolecule|Springer Nature|SpringerMaterials|Starshine Chemical|SureChEMBL|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Thoreauchem|TimTec|ToxPlanet|VladaChem|VWR, Part of Avantor|Wikidata|WikiPathways|Wiley|Wilshire Technologies|Win-Win Chemical|Wubei-Biochem|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D009676 - Noxae > D000963 - Antimetabolites|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map
11850
Galactitol
dulcitol|galactitol|608-66-2|dulcite|dulcose|Euonymit|D-Galactitol|Melampyrin|Melampyrit|(2R,3S,4R,5S)-Hexane-1,2,3,4,5,6-hexaol|D-Dulcitol|(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol|Melampyrite|Melampyrum|meso-galactitol|L-galactitol|CHEBI:16813|113ZQ1Y7DD|DTXSID1046051|MFCD00064288|2234851-14-8|rel-(2R,3S,4R,5S)-Hexane-1,2,3,4,5,6-hexaol|DTXCID9026051|CAS-608-66-2|UNII-113ZQ1Y7DD|galacto-Hexitol|NSC-1944|Dulcitol, puriss.|NCGC00159410-03|NCGC00159410-04|NSC 1944|EINECS 210-165-2|Ambap5938|Dulcitol, >=99%|GALACTITOL [MI]|AI3-19423|Epitope ID:114704|GALACTITOL [USP-RS]|SCHEMBL25162|CHEMBL1773904|HY-Y0418|Tox21_111643|Tox21_111644|s3864|AKOS008145350|Tox21_111643_1|Tox21_111644_1|CCG-266441|DS-6321|NCGC00164353-05|NCGC00166072-02|AC-34851|Dulcitol, Vetec(TM) reagent grade, 98%|CS-0015135|CS-0356545|G0005|NS00074158|EN300-66855|C01697|Q420367|LACTITOL MONOHYDRATE IMPURITY D [EP IMPURITY]|Z1065647778|118FFB2B-9CDF-4CF4-9706-6865B46BA004|Galactitol, European Pharmacopoeia (EP) Reference Standard|Galactitol, United States Pharmacopeia (USP) Reference Standard|Galactitol, Pharmaceutical Secondary Standard; Certified Reference Material
182.170
C6H14O6
121.000
105.000
-3.100
12
6
6
5
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-
C([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O
C(C(C(C(C(CO)O)O)O)O)O
FBPFZTCFMRRESA-GUCUJZIJSA-N
(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol
182.079
182.079
0
1
0
4
4
0
0
0
0
3565
47368
14773
2D+3D
Galactitol
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
16
2517|588834|595446|595447|595448|595449|595450|651631|651632|651633|651634|651635|652048|652051|686978|686979|720516|720532|720533|720552|720634|720635|720637|720674|720675|720678|720679|720680|720681|720682|720683|720684|720685|720686|720687|720691|720692|720693|720719|720725|743012|743014|743015|743033|743035|743036|743040|743041|743042|743053|743054|743063|743064|743065|743066|743067|743069|743074|743075|743077|743078|743079|743080|743081|743083|743084|743085|743086|743091|743094|743122|743139|743140|743191|743194|743199|743202|743203|743209|743210|743211|743212|743213|743215|743217|743218|743219|743220|743221|743222|743223|743224|743225|743226|743227|743228|743239|743240|743241|743242|743244|1117298|1117304|1117305|1117310|1117312|1117314|1117322|1117323|1117324|1117326|1117329|1117330|1117332|1117334|1117336|1117337|1117338|1117340|1117341|1117342|1117343|1117346|1117352|1159509|1159515|1159516|1159517|1159518|1159519|1159520|1159521|1159523|1159525|1159526|1159527|1159528|1159529|1159531|1159551|1159552|1159553|1159555|1159614|1224834|1224835|1224836|1224837|1224838|1224839|1224840|1224841|1224842|1224843|1224844|1224845|1224846|1224847|1224848|1224849|1224857|1224859|1224867|1224868|1224869|1224870|1224871|1224872|1224873|1224874|1224875|1224876|1224877|1224878|1224879|1224880|1224881|1224882|1224883|1224884|1224885|1224886|1224887|1224888|1224889|1224890|1224892|1224893|1224894|1224895|1224896|1259241|1259242|1259243|1259244|1259247|1259248|1259344|1259355|1259356|1259364|1259365|1259366|1259367|1259368|1259369|1259377|1259378|1259379|1259380|1259381|1259382|1259383|1259384|1259385|1259386|1259387|1259388|1259390|1259391|1259392|1259393|1259394|1259395|1259396|1259400|1259401|1259402|1259403|1259404|1296008|1296009|1345084|1345199|1346378|1346428|1346784|1346795|1346798|1346799|1346824|1346829|1346859|1346877|1346891|1346924|1346977|1346978|1346979|1346980|1346981|1346982|1346983|1346984|1346985|1346986|1346987|1347030|1347031|1347032|1347033|1347034|1347035|1347036|1347037|1347038|1347053|1347055|1347082|1347083|1347085|1347086|1347089|1347090|1347091|1347092|1347093|1347094|1347095|1347096|1347097|1347098|1347099|1347100|1347101|1347102|1347103|1347104|1347105|1347106|1347107|1347108|1347154|1347395|1347397|1347398|1347399|1347407|1347424|1347425|1479145|1479147|1479149|1479150|1508616|1508620|1508623|1508624|1508630|1645839|1645840|1645841|1645842|1645845|1645846|1645851|1645870|1645876|1645877|1645882|1645883|1645886|1645887|1671188|1671190|1671193|1671194|1671196|1671197|1671198|1671199|1671200|1671201|1745845|1745856|1745857|1845191|1845192|1919968|1919969|1919970|1920063|1920064|1920065|1920067|1920068
20040916
10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|Acadechem|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Ambeed|Angene Chemical|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|AvaChem Scientific|BenchChem|BePharm Ltd.|BioCyc|Biopurify Phytochemicals|BLD Pharm|BOC Sciences|CCSbase|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|Chemenu Inc.|ChemExper Chemical Directory|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemSpider|Collaborative Drug Discovery, Inc.|Combi-Blocks|CSNpharm|CymitQuimica|DC Chemicals|DiscoveryGate|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|FDA Global Substance Registration System (GSRS)|Founder Pharma|Glentham Life Sciences Ltd.|GlyTouCan Project|Golm Metabolome Database (GMD), Max Planck Institute of Molecular Plant Physiology|Google Patents|Hangzhou APIChem Technology|Human Metabolome Database (HMDB)|IBM|iChemical Technology USA Inc|Immune Epitope Database (IEDB)|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|LGC Standards|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Molecule Market|Molepedia|MolPort|MuseChem|Nature Science Technologies Ltd|NextBio|NextMove Software|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|OXCHEM CORPORATION|Parchem|PATENTSCOPE (WIPO)|Probes & Drugs portal|R&D Chemicals|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|Sinfoo Biotech|Smolecule|Springer Nature|SpringerMaterials|Starshine Chemical|SureChEMBL|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|Thieme Chemistry|Thomson Pharma|Tox21|ToxPlanet|VladaChem|Wikidata|Win-Win Chemical|Wubei-Biochem|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
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COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map
15939
Paraquat
PARAQUAT|4685-14-7|Paraquat ion|1,1'-Dimethyl-4,4'-bipyridinium|Paraquat dication|Dimethyl viologen|4,4'-Bipyridinium, 1,1'-dimethyl-|Methyl viologen (2+)|Starfire|Weedol|Spraytop-graze|Dextrone X|Gramoxone|Methyl viologen ion(2+)|N,N'-Dimethyl-4,4'-bipyridinium|1,1'-Dimethyl-4,4'-bipyridyldiylium|CCRIS 7731|1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium|HSDB 1668|Esgram|PRIGLONE|1,1'-Dimethyl-4,4'-bipyridinium salt|1,1'-Dimethyl-4,4'-bipyridinium cation|Gramoxone S|PARAQUAT CATION|CHEBI:34905|N,N'-Dimethyl-4,4'-bipyridinium dication|PLG39H7695|DTXSID3034799|1,1'-dimethyl-4,4'-bipyridium|1,1'-dimethyl-4,4'-bipyridin-1-ium|PARAQUAT (MART.)|PARAQUAT [MART.]|BIPYRIDINIUM, 1,1'-DIMETHYL-4,4'-|MLS001332595|Viologen, Methyl|Paraquat [ANSI:BSI:ISO]|1,1'-dimethyl-(4,4'-bipyridin)-1,1'-diium|1,1'-dimethyl-[4,4'-bipyridin]-1,1'-diium|SMR000875209|EINECS 225-141-7|N,N'-Dimethyl-gamma,gamma'-dipyridylium|UNII-PLG39H7695|KHJ|PARAQUAT [HSDB]|PARAQUAT [ISO]|PARAQUAT [MI]|3240-78-6|ChemDiv3_000231|NCIMech_000502|NCIOpen2_005422|SCHEMBL21652|MLS001304933|BIDD:ER0480|CHEMBL74469|1,1'-Dimethyl-4,4'-bipyridyldiylium ion (8CI)(9CI)|DTXCID1014799|BDBM96275|cid_5351279|1,1'-Dimethyl,4,4'-bipyridyl|HMS1473K11|1,1 '-dimethyl-4,4'-bipyridinium|CCG-35984|STK387391|AKOS001483177|IDI1_019549|1,1'-DIMETHYL-4,4'-BIPYRIDYL|NCGC00166161-02|NCI60_002105|SMR000752910|1,1'-Dimethyl-4,4'-bipyridyldiylium ion|NS00010483|1,1'-Dimethyl-4,4'-bipyridium bromide (1:2)|AC-907/25005209|W-106083|Q26841324|1,1'-DIMETHYL-[4,4'-BIPYRIDINE]-1,1'-DIIUM|1-methyl-4-(1-methyl-4-pyridin-1-iumyl)pyridin-1-ium;chloride|1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;chloride
186.250
C12H14N2+2
7.800
145.000
1.700
14
0
0
1
InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2
C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C
C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C
INFDPOAKFNIJBF-UHFFFAOYSA-N
1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium
186.116
186.116
2
1
0
0
0
0
0
0
0
6618
41633
12165
2D+3D
Paraquat
Agrochemical Information|Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active
16
61001|61002|369249|369250|369251|369252|369253|369625|485350|485395|492967|493033|493162|504770|538370|540238|540299|588208|588209|588210|588220|588519|602314|720641|1077673|1077674|1077675|1077676|1077677|1085464|1090175|1090176|1090177|1092853|1092854|1092855|1092856|1092857|1092858|1092859|1092860|1097874|1097875|1097876|1097919|1097920|1097921|1097962|1107420|1110701|1110702|1110703|1110704|1110705|1224905|1259407|1259408|1259409|1272365
20050327
001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|Acadechem|Achemica|Achemo Scientific Limited|Achemtek|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alichem|Amadis Chemical|Ambeed|Ambinter|AN PharmaTech|Anward|Aribo Reagent|AstaTech, Inc.|Aurora Fine Chemicals LLC|BenchChem|Bic Biotech|BIDD|BIND|BindingDB|BioCyc|Biosynth|BLD Pharm|BOC Sciences|Center for Chemical Genomics, University of Michigan|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemDB|ChemDiv|Chemenu Inc.|ChemExper Chemical Directory|Chemical Carcinogenesis Research Information System (CCRIS)|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|ChemMol|ChemSpider|ChemTik|CHIRALEN|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|Crystallography Open Database (COD)|CymitQuimica|DiscoveryGate|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|ET Co.,Ltd.|EvitaChem|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Genetic Toxicology Data Bank (GENE-TOX)|Google Patents|Hairui Chemical|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|Kingston Chemistry|LabNetwork, a WuXi AppTec Company|Lan Pharmatech|LeadScope|LEAPCHEM|LGC Standards|Mcule|Metabolomics Workbench|MLSMR|MolCore|Molecule Market|MolPort|MP Biomedicals|MTDP|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Chemical Biology|Nature Chemistry|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIST Chemistry WebBook|NORMAN Suspect List Exchange|NovoSeek|OChem|Parchem|PATENTSCOPE (WIPO)|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|PubChem Reference Collection|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Sigma-Aldrich|Sinfoo Biotech|Small Molecule Screening Facility, UW Madison|Smolecule|Specs|Springer Nature|Starshine Chemical|SureChEMBL|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thermo Fisher Scientific|Thieme Chemistry|Thomson Pharma|TimTec|ToxPlanet|Tractus|Vitas-M Laboratory|VladaChem|VWR, Part of Avantor|Wikidata|WikiPathways|Wiley|Wubei-Biochem|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D010575 - Pesticides > D006540 - Herbicides|D016573 - Agrochemicals|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map
6133
Uridine 5'-triphosphate
uridine 5'-triphosphate|uridine triphosphate|63-39-8|Uridine 5'-(tetrahydrogen triphosphate)|UTP|Uteplex|5'-UTP|Uridine 5'-triphosphoric acid|INS316|uridine-5'-triphosphate|H4utp|BRN 0071520|UTP;Uridine 5'-triphosphate|CHEMBL336296|Ara-utp|CHEBI:15713|INS-316|UT0S826Z60|Uridine 5'-triphosphate tris salt|(((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid|uridine5'-triphosphate|108321-53-5|EINECS 200-558-7|araUridine-5'-triphosphate|UNII-UT0S826Z60|uridintriphosphat|ara UTP|[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate|3h-uridine triphosphate|Spectrum_001697|Spectrum2_000525|Spectrum3_001596|Spectrum4_000851|Spectrum5_001167|bmse000295|SCHEMBL76682|BSPBio_003192|KBioGR_001481|KBioSS_002177|4-24-00-01222 (Beilstein Handbook Reference)|DivK1c_000269|SPBio_000509|GTPL1734|uridine 5''-triphosphoric acid|DTXSID0041147|KBio1_000269|KBio2_002177|KBio2_004745|KBio2_007313|KBio3_002692|5''-UTP|NINDS_000269|BDBM50118213|URIDINE TRIPHOSPHATE [WHO-DD]|AKOS016011172|URIDINE 5'-TRIPHOSPHATE [MI]|CS-7777|DB04005|IDI1_000269|Uridine mono(tetrahydrogen triphosphate)|NCGC00163323-01|[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate|uridine 5''-(tetrahydrogen triphosphate)|CAS 60102-52-5|HY-107372|NS00014367|C00075|F85566|Uridine 5'-triphosphate sodium salt, AldrichCPR|1-beta-D-Arabinofuranosyluridine-5'-triphosphate,|Uridine, mono(tetrahydrogen triphosphate) (ester)|Uridine 5'-(tetrahydrogen triphosphate) (8CI,9CI)|DC99D596-4755-4E87-B3AA-F1D6CFEDCE9A|Q32904692|((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate|[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate|[[[5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid|2,4(1H,3H)-Pyrimidinedione, 1-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-.beta.-D-ribofuranosyl]-
484.140
C9H15N2O15P3
259.000
839.000
-5.800
29
7
15
8
InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
PGAVKCOVUIYSFO-XVFCMESISA-N
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
483.969
483.969
0
1
0
4
4
0
0
0
0
4159
16166
4791
2D+3D
Uridine Triphosphate
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
16
880|1030|1457|1458|1460|1463|1468|1469|1471|1477|1479|1490|1865|2101|2107|2112|2517|2549|40281|40282|50022|89268|89269|89271|89273|150321|150331|150489|150627|150634|150636|221765|261436|261437|261438|261696|261697|261699|272716|272719|272722|278942|278943|278951|278952|280297|280298|280301|302989|304928|304929|304930|304931|305248|305249|305250|305251|310935|350665|350668|350669|350671|350672|350673|350674|350676|350677|350678|350679|350683|350684|350685|350686|350687|350688|350689|350690|350691|350692|350693|350694|350696|350697|350698|350699|350708|350918|352541|373707|373708|386066|404830|404832|404834|436591|436592|436594|460573|460576|460812|484775|484776|484777|484781|484783|484784|485281|485290|504327|504332|504845|504847|588579|593124|593125|593126|600862|600863|600864|600868|600875|600876|602332|647894|647895|648182|648184|682413|682414|686978|686979|720532|720533|720579|720580|1137665|1159524|1159607|1259398|1259399|1259423|1286110|1346293|1346335|1346348|1346426|1347028|1347131|1347154|1369982|1369991|1370003|1370008|1372689|1372691|1372692|1372693|1372695|1409598|1465365|1465366|1465367|1465368|1465369|1465370|1465371|1465372|1465373|1465374|1465375|1465376|1465377|1465378|1465379|1465380|1465381|1465382|1465383|1465384|1465385|1465386|1465387|1465388|1465389|1465396|1465410|1465411|1508630|1614295|1618487|1618488|1640020|1645758|1645882|1645883|1645886|1645887|1671190
20040916
001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|A&J Pharmtech CO., LTD.|AAA Chemistry|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|Acadechem|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Product List|ACT Chemical|Activate Scientific|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alichem|Amadis Chemical|Ambeed|Ambinter|AN PharmaTech|AstaTech, Inc.|Aurora Fine Chemicals LLC|BenchChem|BePharm Ltd.|BIND|BindingDB|BioCyc|Biological Magnetic Resonance Data Bank (BMRB)|Biosynth|BLD Pharm|BOC Sciences|Broad Institute|BroadPharm|Burnham Center for Chemical Genomics|CCSbase|Center for Chemical Genomics, University of Michigan|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemExper Chemical Directory|chemical genetic matrix|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemSpider|ChemTik|CHIRALEN|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|DrugBank|DrugCentral|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Emory University Molecular Libraries Screening Center|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|EvitaChem|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|Founder Pharma|Glentham Life Sciences Ltd.|Golm Metabolome Database (GMD), Max Planck Institute of Molecular Plant Physiology|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Hangzhou APIChem Technology|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|Lan Pharmatech|LeadScope|LGC Standards|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Molecule Market|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Chemical Biology|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NINDS Approved Drug Screening Program|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|OChem|ORST SMALL MOLECULE SCREENING CENTER|OXCHEM CORPORATION|Parchem|PATENTSCOPE (WIPO)|Phion Ltd|Pi Chemicals|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|Selleck Chemicals|Sierra Bioresearch|Sigma-Aldrich|Sinfoo Biotech|Small Molecule Screening Facility, UW Madison|SMID|Smolecule|Springer Nature|Starshine Chemical|SureChEMBL|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|ToxPlanet|Tractus|University of Iowa High-Throughput Screening Core (UIHTS)|Vesino Industrial Co., Ltd|VladaChem|Wikidata|WikiPathways|Wilshire Technologies|Wubei-Biochem|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
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COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map
15993
2'-Deoxyadenosine 5'-triphosphate
dATP|1927-31-7|2'-deoxyadenosine 5'-triphosphate|Deoxyadenosine triphosphate|2'-deoxyadenosine triphosphate|deoxy-ATP|Deoxyadenosine 5'-triphosphate|2'-deoxyadenosine-5'-triphosphate|2'-Datp|2'-Deoxy-5'-ATP|2'-Deoxyadenosine 5'-(tetrahydrogen triphosphate)|Adenosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-|[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate|CHEBI:16284|2'-Deoxy-ATP|(((2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid|K8KCC8SH6N|CHEMBL335538|ADENOSINE, 2'-DEOXY-, 5'-(TETRAHYDROGEN TRIPHOSPHATE)|Adenosine, 5'-(tetrahydrogen triphosphate), 2'-deoxy-|111907-01-8|67460-17-7|deoxyadenosine-triphosphate|2'-Deoxyadenosine-5'-triphosphate trisodium salt|({[({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid|[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate|EINECS 217-662-3|UNII-K8KCC8SH6N|BRN 0071964|2'-Deoxyformycin-5'-triphosphate|ATP,2'-deoxy|1h7a|Epitope ID:149167|SCHEMBL78250|5'-DATP|4-26-00-03593 (Beilstein Handbook Reference)|GTPL1760|DTXSID10895848|BDBM50118233|deoxy[ 3h]adenosine 5'-triphosphate|AKOS022179909|AC-8231|DB03222|AS-69027|HY-136648|CS-0132807|NS00014812|C00131|A852110|Q201090|Adenosine, 2'-deoxy-, 5'-triphosphate (6CI,7CI)|2''-deoxyadenosine 5''-(tetrahydrogen triphosphate)|Adenosine 5'-(tetrahydrogen triphosphate), 2'-deoxy- (9CI)|Adenosine, 2'-deoxy-, 5'-(tetrahydrogen triphosphate) (8CI)|deoxy-ATP, 2'-deoxyadenosine triphosphate, Deoxyadenosine 5'-triphosphate|(((2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl)triphosphoricacid|[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate|9H-purin-6-amine, 9-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-beta-D-erythro-pentofuranosyl]-|D-erythro-pentitol, 1-C-(7-amino-1H-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-2-deoxy-, 5-(tetrahydrogen triphosphate), (R)-
491.180
C10H16N5O12P3
259.000
769.000
-4.400
30
6
16
8
InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
SUYVUBYJARFZHO-RRKCRQDMSA-N
[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
491.001
491.001
0
1
0
3
3
0
0
0
0
1355
7967
2446
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
16
1811|18096|22610|24495|53665|107751|107761|107763|107766|107772|107904|107907|150470|150489|167233|167235|198921|229453|294600|294601|395722|395723|395724|395725|395726|395727|572770|572771|572772|618865|618875|618876|618877|670143|670145|670146|670147|670148|671283|711522|711538|711539|977611|1124515|1124517|1124518|1346335
20050608
001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|Achemo Scientific Limited|Achemtek|Acmec Biochemical|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Alichem|Amadis Chemical|Ambeed|Ambinter|AN PharmaTech|Angel Pharmatech Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|BenchChem|Bic Biotech|BIND|BindingDB|BioCyc|Biosynth|BLD Pharm|BOC Sciences|Boerchem|CCSbase|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemSpider|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|CymitQuimica|DC Chemicals|DiscoveryGate|DrugBank|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|eNovation Chemicals|EPA DSSTox|EvitaChem|FDA Global Substance Registration System (GSRS)|Founder Pharma|Glentham Life Sciences Ltd.|Google Patents|Hangzhou APIChem Technology|Human Metabolome Database (HMDB)|IBM|iChemical Technology USA Inc|Immune Epitope Database (IEDB)|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|labseeker|LeadScope|LGC Standards|MassBank of North America (MoNA)|Mcule|MedChemexpress MCE|Metabolomics Workbench|Molecule Market|Molepedia|MolPort|MuseChem|Nature Chemical Biology|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|NovoSeek|OChem|PATENTSCOPE (WIPO)|Pi Chemicals|Probes & Drugs portal|Prof. Malboobi, Plant Biotechnology Lab, National Institute of Genetic Engineering and Biotechnology|Protein Data Bank in Europe (PDBe)|Race Chemical|RR Scientific|SCRIPDB|Shanghai Institute of Organic Chemistry|Sigma-Aldrich|SMID|Smolecule|Springer Nature|Starshine Chemical|SureChEMBL|Syntree|THE BioTek|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|ToxPlanet|W&J PharmaChem|Wikidata|WikiPathways|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
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COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map
6321424
Ivermectin B1a
Ivermectin B1a|IVERMECTIN|Dihydroavermectin B1a|70288-86-7|71827-03-7|22,23-Dihydroavermectin B1a|70161-11-4|22,23-Dihydroavermectin B1|Ivermectin Component B1a|avermectin H2B1a|Ivermectin B1a-d2|5-O-demethyl-22,23-dihydroavermectin A1a|DTXSID8023181|CHEBI:63941|91Y2202OUW|(2ae,4e,5's,6s,6'r,7s,8e,11r,13r,15s,17ar,20r,20ar,20bs)-6'-[(2s)-Butan-2-Yl]-20,20b-Dihydroxy-5',6,8,19-Tetramethyl-17-Oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-Tetradecahydro-2h,7h-Spiro[11,15-Methanofuro[4,3,2-Pq][2,6]benzodioxacyclooctadecine-13,2'-Pyran]-7-Yl 2,6-Dideoxy-4-O-(2,6-Dideoxy-3-O-Methyl-Alpha-L-Arabino-Hexopyranosyl)-3-O-Methyl-Alpha-L-Arabino-Hexopyranoside|MK-933|(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one|Avermectin A1a, 5-O-demethyl-22,23-dihydro-|C48H74O14|UNII-91Y2202OUW|22,23-Dihydroavermectin B(1)a|NCGC00163233-01|(2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside|Ivermectin (IVM)|IVM|EINECS 276-046-2|dihydro avermectin Bla|BRN 4643153|H2B1a|Prestwick3_000156|Ivermectin (MK-0933)|Ivermectin B1a (>85%)|BSPBio_000292|SCHEMBL312795|BPBio1_000322|CHEMBL263291|DTXCID303181|CHEBI:94551|HMS2089M09|HMS2095O14|HMS3712O14|WCA82703|Tox21_112034|BDBM50409816|HB1958|MFCD00869511|s1351|AKOS027470116|IVERMECTIN COMPONENT B1A [MI]|AC-6014|AT36525|CCG-220156|NCGC00186639-01|NCGC00186639-03|AS-14167|BI166167|CAS-71827-03-7|HY-126937|AB00513813|CS-0108408|NS00000160|22,23-DIHYDROAVERMECTIN B1A; IVERMECTIN|AB00513813-02|AB00513813-03|AB00513813_04|Avermectin A1a, 22,23-dihydro-5-O-demethyl-|Ivermectin, Antibiotic for Culture Media Use Only|Q-201262|BRD-K24652731-001-02-7|BRD-K85554912-001-08-9|Q27132923|Ivermectin, British Pharmacopoeia (BP) Reference Standard|Ivermectin, European Pharmacopoeia (EP) Reference Standard|Ivermectin, United States Pharmacopeia (USP) Reference Standard|Ivermectin, Pharmaceutical Secondary Standard; Certified Reference Material|(2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17|-oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy|clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside
875.100
C48H74O14
170.000
1680.000
4.100
62
3
14
8
InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C
CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C
AZSNMRSAGSSBNP-XPNPUAGNSA-N
(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
874.508
874.508
0
1
0
20
20
0
3
3
0
12640
30852
7387
2D
Ivermectin
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
16
1189|1195|1208|1332|2517|588834|624101|624136|624138|624139|624141|624151|624349|651631|651632|651633|651634|651828|652048|652051|686977|686978|686979|720516|720532|720533|720552|720634|720635|720637|720641|720674|720675|720678|720679|720680|720681|720682|720683|720684|720685|720686|720687|720691|720692|720693|720717|720719|720725|743012|743014|743015|743033|743035|743036|743040|743041|743042|743053|743054|743063|743064|743065|743066|743067|743069|743074|743075|743077|743078|743079|743080|743081|743083|743084|743085|743086|743091|743094|743122|743139|743140|743244|1159607|1224863|1224905|1259344|1259355|1259356|1259398|1259399|1259416|1259421|1259423|1296008|1296009|1345084|1345199|1346212|1346983|1346984|1346985|1346986|1346987|1347055|1347074|1347080|1347149|1347150|1347151|1347155|1347156|1347158|1347159|1347160|1347163|1347164|1347167|1347168|1347169|1347170|1347171|1347172|1376808|1409594|1409598|1508586|1508614|1508620|1508626|1560628|1560631|1560633|1560634|1594134|1594135|1594136|1594137|1594138|1594139|1594140|1594141|1594142|1594143|1594144|1594145|1605061|1605062|1605063|1616891|1640020|1645758|1645843|1645851|1645870|1645876|1645877|1645882|1645883|1645886|1645887|1671188|1671193|1745853|1768968|1768969|1768971|1768972|1768973|1845192|1847507|1847535|1871185|1871186|1871187|1871188|1876316|1895543|1895544|1895545|1895546|1918969|1918990
20051120
001Chemical|AbaChemScene|Abe Lab, University of Texas MD Anderson Cancer Center|Achemtek|Acorn PharmaTech Product List|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alsachim|AstaTech, Inc.|Aurora Fine Chemicals LLC|AvaChem Scientific|BenchChem|BindingDB|BioAustralis Fine Chemicals|BioCrick|Biosynth|BOC Sciences|Broad Institute|CCSbase|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|Collaborative Drug Discovery, Inc.|Combi-Blocks|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|Elsa Biotechnology|eMolecules|EPA DSSTox|EPA Substance Registry Services|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|Fredberg Lab, Harvard T.H. Chan School of Public Health|Glentham Life Sciences Ltd.|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Hangzhou APIChem Technology|Hello Bio|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|J&H Chemical Co.,ltd|Key Organics/BIONET|LGC Standards|MassBank of North America (MoNA)|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NCBI Structure|NextBio|NextMove Software|NORMAN Suspect List Exchange|OChem|PATENTSCOPE (WIPO)|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|RR Scientific|Santa Cruz Biotechnology, Inc.|Selleck Chemicals|Sigma-Aldrich|Small Molecule Screening Facility, UW Madison|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|SureChEMBL|TargetMol|THE BioTek|Thomson Pharma|Tox21|ToxPlanet|University of Kansas High Throughput Screening Laboratory|VladaChem|Wikidata|Wutech|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
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P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CF - Avermectines|D - Dermatologicals|D010575 - Pesticides > D007306 - Insecticides|D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents|D016573 - Agrochemicals|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
5892
Nadide
nadide|NAD+|53-84-9|beta-nicotinamide adenine dinucleotide|coenzyme I|beta-NAD|Codehydrase I|Codehydrogenase I|nicotinamide adenine dinucleotide|beta-NAD+|Cozymase I|beta-Diphosphopyridine nucleotide|diphosphopyridine nucleotide|NAD|Nicotinamide dinucleotide|CO-I|Enzopride|COZYMASE|Nadidum|Nicotinamide-adenine dinucleotide|NAD zwitterion|CO-1|beta-DPN|Pyridine, nucleotide diphosphate|Nicotineamide adenine dinucleotide|Adenine-nicotinamide dinucleotide|codehydrogenase|Nadidum [INN-Latin]|Nadida [INN-Spanish]|MFCD00036253|DTXSID2045236|CHEBI:44215|BRN 3584133|3-Carbamoyl-1-beta-D-ribofuranosylpyridinium hydroxide, 5'-ester with adenosine 5'-pyrophosphate, inner salt|Nicotinamide adenine dinucleotide (NAD)|Coenzyme 1|DPN-ox|.beta.-NAD|64417-72-7|NAD Lithium salt|Endopride|1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoylpyridin-1-ium|Adenosine 5'-(trihydrogen diphosphate), P'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt|DPN+|NAD+, Free Acid|Nadida|Adenosine 5'-(trihydrogen diphosphate), P'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner salt|0U46U6E8UK|NSC-20272|Nadide [USAN:INN:BAN:JAN]|Pyridinium, 3-carbamoyl-1-beta-D-ribofuranosyl-, hydroxide, 5'-ester with adenosine 5'-5'-(trihydrogen pyrophosphate), inner salt|EINECS 200-184-4|NSC 20272|beta-Nicotinamide adenine dinucleotide hydrate|UNII-0U46U6E8UK|NADLithiumsalt|NSC20272|beta-Diphosphopyridinenucleotide|NAD trihydrate|CAS-53-84-9|NCGC00016240-01|b-NAD, oxidised form|beta-NAD, oxidised form|[adenylate-32-P]-NAD|Carbonyl [14C] NAD+|EC 200-184-4|NAD, Grade I, free acid|[adenylate-32-P]-NAD+|NAD, Grade II, free acid|5-26-16-00399 (Beilstein Handbook Reference)|SCHEMBL131544|SPECTRUM1500419|Pyridine nucleotide diphosphate|GTPL2451|CHEMBL1234613|DTXCID0025236|HMS500J11|Nicotinamide Adinine Dinucleotide|[14C] NAD+|[32P] NAD+|b-Nicotinamide adenine dinucleotide|BDBM213227|HMS2091H06|HMS2097E04|HMS3714E04|Pharmakon1600-01500419|EX-A3535|HY-B0445|Tox21_110321|CCG-40114|NSC757121|s2518|AKOS015892319|beta-nicotinamide adenine din-ucleotide|DB14128|NSC-757121|.beta.-Nicotinamide adenine dinucleotide|NCGC00178839-01|NCGC00178839-02|NCGC00178839-03|NCGC00178839-08|[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate||A-DPN; |A-NAD; Coenzyme 1; Nadide|AC-37031|Adenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, hydroxide, inner salt|AS-14652|BP-58726|SBI-0051451.P003|AB00513910|D0919|NS00100300|-DPN;-NAD;-Nicotinamide Adenine Dinucleotide|beta-Nicotinamide adenine dinucleotide, reduced|AB00052048_03|beta-Nicotinamide adenine dinucleotide trihydrate|beta-Nicotinamide adenine dinucleotide hydrate, >=99%|Q12499775|F45C0D6C-DA87-47BE-9975-7A5DE9CCB985|beta-Nicotinamide adenine dinucleotide hydrate, >=95% (HPLC)|beta-Nicotinamide adenine dinucleotide, pkg of 10 mg (per vial)|beta-Nicotinamide adenine dinucleotide, pkg of 20 mg (per vial)|beta-Nicotinamide adenine dinucleotide, pkg of 50 mg (per vial)|beta-Nicotinamide adenine dinucleotide hydrate, >=98%, BioUltra, from yeast|beta-Nicotinamide adenine dinucleotide hydrate, Grade AA-1, >=95% (HPLC)|3-Carbamoyl-1-D-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate|beta-Nicotinamide adenine dinucleotide hydrate, purified by column chromatography, >=99%|beta-Nicotinamide adenine dinucleotide hydrate, Vetec(TM) reagent grade, >=96.5%|[(3S,2R,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[(3S,2R,4R,5R)-5-(3-carbamoylpyridyl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxyphosphoryl) hydrogen phosphate|[(3S,2R,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[(3S,2R,4R,5R)-5-(3-carbamoylpyridyl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxyphosphoryl)hydrogen phosphate|[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate|1-[(2R,3R,4S,5R)-5-{[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1-pyridin-1-ylium|3-Carbamoyl-1-beta-D-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate inner salt|3-Carbamoyl-1-beta-delta-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate inner salt|3-Carbamoyl-1-delta-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate|Adenosine 5'-(trihydrogen diphosphate), P'->5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner salt|Adenosine 5'-(trihydrogen diphosphate), P'.fwdarw.5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner salt|Adenosine 5'-(trihydrogen diphosphate-P-32P), P'>5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner salt (9CI)|beta-Nicotinamide adenine dinucleotide hydrate, >=96.5% (HPLC), >=96.5% (spectrophotometric assay), from yeast|beta-Nicotinamide adenine dinucleotide hydrate, cell culture tested, >=96.5% (HPLC), >=96.5% (spectrophotometric assay), from yeast|beta-Nicotinamide adenine dinucleotide hydrate, Suitable for manufacturing of diagnostic kits and reagents|Pyridinium, 3-carbamoyl-1-b-D-ribofuranosyl-, hydroxide, 5'-5'-ester with adenosine 5'-(trihydrogen pyrophosphate), inner salt (8CI)
663.400
C21H27N7O14P2
321.000
1120.000
-6.000
44
7
18
11
InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N
C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N
BAWFJGJZGIEFAR-NNYOXOHSSA-N
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
663.109
663.109
0
1
0
8
8
0
0
0
0
43981
12507
5399
2D+3D
NAD
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
16
940|1332|1422|1580|1581|1582|1583|1584|1585|1586|1587|1588|1589|1590|1593|1594|1595|1596|1597|1598|1599|1600|1601|1602|1603|1604|1605|1606|1607|1608|1609|1610|1611|1612|1613|1614|1616|2517|33708|33861|52125|70969|74665|74666|99367|99370|106792|106795|268956|269134|269136|492967|493162|588211|588212|588213|588834|597364|597365|624349|651631|651632|651633|651634|651635|652048|652051|686977|686978|686979|720516|720532|720533|720552|720634|720635|720637|720641|720674|720675|720678|720679|720680|720681|720682|720683|720684|720685|720686|720687|720691|720692|720693|720717|720719|720725|743012|743014|743015|743033|743035|743036|743040|743041|743042|743053|743054|743063|743064|743065|743066|743067|743069|743074|743075|743077|743078|743079|743080|743081|743083|743084|743085|743086|743091|743094|743122|743139|743140|743244|977599|977602|1159550|1159580|1159607|1224863|1259318|1259344|1259355|1259356|1259389|1296008|1345086|1345199|1346200|1346335|1346628|1346983|1346984|1346985|1346986|1346987|1347074|1347080|1347142|1347144|1347145|1479145|1479147|1479149|1479150|1508586|1508614|1508626|1508630|1645845|1645846|1645882|1645883|1645886|1645887|1671190|1671498|1794731|1794732|1794733|1794735|1794736|1794738|1794739|1794740|1794742|1794745|1794746|1794748|1794750|1794751|1794752|1794753|1794754|1794755|1794756|1794757|1794758|1794759|1794760|1794761|1794763|1794764|1794765|1794766|1794767|1794768|1794769|1794771|1794772|1794773|1794774|1794775|1794776|1794777|1794778|1794779|1794781|1794782|1794783|1794784|1794785|1794786|1794787|1794788|1794789|1794790|1794792|1794793|1794794|1794795|1794796|1794798|1794799|1794800|1802396|1845191|1845192|1918969|1918990
20050608
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5291
Imatinib
Imatinib|152459-95-5|STI571|Imatinib (STI571)|sti-571|Imatinib free base|Glamox|N-(4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide|Cgp 57148|STI 571|CCRIS 9076|UNII-BKJ8M8G5HI|BKJ8M8G5HI|Imatinib (INN)|NSC-743414|NSC-759854|4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE|CHEBI:45783|CGP-57148|152459-95-5 (free base)|CHEMBL941|alpha-(4-Methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-tolu-p-toluidide|4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide|DTXSID3037125|MFCD05662257|NSC743414|NSC 743414|NSC 759854|4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide|4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide|Benzamide, 4-((4-methyl)-1-piperazinyl)methyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)-|N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide|IMATINIB [INN]|Imatinib [INN:BAN]|alpha-(4-methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-toluidide|4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-phenyl]benzamide|4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide|STI|BENZAMIDE, 4-((4-METHYL-1-PIPERAZINYL)METHYL)-N-(4-METHYL-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINOPHENYL)-|benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-|Imatinib (Gleevec)|Glamox (TN)|SR-01000763561|NCGC00159456-02|ST1571|ST 1571|Imatinibum|imatinib-CD3|1iep|1xbb|Gleevec(TM)|4-((4-Methyl-1-piperazinyl)methyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)benzamide|4-((4-methylpiperazin-1-yl)methyl)-n-(4-methyl-3-((4-pyridin-3-ylpyrimidin-2-yl)amino)phenyl)benzamide|4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-(4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL)-BENZAMIDE|4-(4-Methylpiperazin-1-ylmethyl)-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide; CGP 57148; Genfatinib; Imatinib, Benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-|4-[(4-methyl-1-piperazinyl)-methyl]-N-{4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]-amino]-phenyl)-benzamide|4-[(4-methyl-1-piperazinyl)-methyl]-N-{4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]-amino]-phenyl}-benzamide|4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[(4-(3-pyridinyl)-2-pyrimidinyl]amino]-phenyl]benzamide|Imatinib, 21|Imatinib, Free base|Kinome_3724|112GI019|IMATINIB [MI]|IMATINIB [VANDF]|IMATINIB [WHO-DD]|Gleevec (TN) (Novartis)|cid_5291|SCHEMBL3827|IMATINIB [EMA EPAR]|STI-571; IMATINIB|BIDD:GT0047|GTPL5687|DTXCID1017125|BDBM13530|EX-A063|L01XE01|BCPP000205|HMS2089D03|HMS3244P06|HMS3244P10|HMS3244P14|HMS3656K04|HMS3715P03|Pharmakon1600-01502276|BCP01542|AC-524|NSC759854|NSC800772|STK617705|AKOS000280662|BCP9000775|CCG-101289|CS-0964|DB00619|ES-0058|NSC-800772|PA-5291|SB17306|MRF-0000449|NCGC00159456-01|NCGC00159456-03|NCGC00159456-04|NCGC00159456-05|NCGC00159456-06|NCGC00159456-07|NCGC00159456-09|NCGC00159456-16|4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide methanesulfonate|BI164570|HY-15463|N-(3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)-4-methylphenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide|N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide|SY028029|AM20090646|I0906|NS00009172|S2475|SW197805-5|D08066|EN300-123057|AB00698388-07|AB00698388-10|AB00698388-11|AB00698388-12|AB00698388-13|AB00698388_15|AB00698388_16|A809313|Q177094|Q-201231|SR-01000763561-4|SR-01000763561-6|BRD-K92723993-066-02-9|BRD-K92723993-066-04-5|Z1546624232|1080014-82-9|4-(4-Me-piperazin-1-ylmethyl)-N-[4-Me-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide|4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide|4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3- pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide|4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide|4-[(4-methyl-1-piperazinyl)methyl]-n[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide|Benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]- (9CI)|methanesulfonic acid; 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide|N-[4-Methyl-3-[[4-(3-pyridyl)-2-pyrimidyl]amino]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamide
493.600
C29H31N7O
86.300
706.000
3.500
37
2
7
7
InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5
CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5
KTUFNOKKBVMGRW-UHFFFAOYSA-N
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
493.259
493.259
0
1
0
0
0
0
0
0
0
29593
114773
24452
2D+3D
Imatinib Mesylate
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
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001Chemical|10X CHEM|3A SpeedChemical Inc|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|Abbott Labs|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Aceschem Inc|Acesobio|Achemica|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|ACT Chemical|Activate Scientific|Active Biopharma|Adooq BioScience|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|AlchemyPharm|Alfa Chemistry|Alsachim|Amadis Chemical|Ambeed|Ambit Biosciences|AN PharmaTech|Angene Chemical|Anward|AOBIOUS INC|ApexBio Technology|Apexmol|Aribo Reagent|Ark Pharm, Inc.|Ark Pharma Scientific Limited|Arromax Pharmatech Co., Ltd|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|AvaChem Scientific|BenchChem|BePharm Ltd.|Bic Biotech|BIDD|BIND|BindingDB|BioChemPartner|Biocore|BioCrick|Biopharma PEG Scientific Inc|Biosynth|BLD Pharm|BOC Sciences|Boerchem|Broad Institute|C. David Weaver Laboratory, Vanderbilt University|CAPOT|CC_PMLSC|CCSbase|CEGChem|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|ChemDB|ChemDiv|Chemenu Inc.|ChemFaces|Chemical Carcinogenesis Research Information System (CCRIS)|Chemical Probes Portal|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|CreativePeptides|CSNpharm|Cure First|CymitQuimica|DAOGE BIOPHARMA|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|EMD Millipore|eMolecules|Enamine|Ennopharm|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|EvitaChem|Excenen Pharmatech|Exclusive Chemistry Ltd|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fisher Drug Discovery Resource Center|ForeChem|Founder Pharma|Glentham Life Sciences Ltd.|Google Patents|Hairui Chemical|Hangzhou APIChem Technology|Hangzhou Trylead Chemical Technology|Hello Bio|Horrigan Lab, Baylor College of Medicine|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|Lan Pharmatech|LeadScope|LEAPCHEM|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Milwaukee Institute for Drug Discovery|MLSMR|MolCore|Moldb|Molecule Market|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Chemical Biology|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIH Clinical Collection|NIH/NCATS RNAi|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|Novartis Institutes for BioMedical Research|NovoSeek|Oakwood Products|OChem|OXCHEM CORPORATION|Parchem|PATENTSCOPE (WIPO)|Phion Ltd|Pi Chemicals|Pistoia Alliance DataFAIRy Bioassay Pilot|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Prous Science Drugs of the Future|PubChem Reference Collection|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|Santagata Laboratory - Brigham and Women's Hospital and Harvard Medical School|SCRIPDB|Selleck Chemicals|Shanghai Institute of Organic Chemistry|Shanghai Mathcon Pharmaceutical Co.,LTD.|Sigma-Aldrich|SLING Consortium|Small Molecule Screening Facility, UW Madison|SMID|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|SureChEMBL|Synblock Inc|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thermo Fisher Scientific|Thieme Chemistry|Thomson Pharma|Tocris Bioscience|Tox21|ToxPlanet|Tractus|TripleBond|Uchem Meditech|UCSC Chemical Screening Center|University of Kansas High Throughput Screening Laboratory|UPCMLD|Vichem Chemie Ltd.|Vitas-M Laboratory|VladaChem|VWR, Part of Avantor|Wikidata|WikiPathways|Wiley|Wolves R&D chemical|Wubei-Biochem|Wutech|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
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C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor|C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor|C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163999 - cKIT-targeting Agent|L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EA - Bcr-abl tyrosine kinase inhibitors|C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent|D000970 - Antineoplastic Agents|C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159198 - c-KIT Inhibitor|D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors|C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from Guide to PHARMACOLOGY, clinicaltrial, clinicaltrials, clinical trial, clinical trials
3899
Leflunomide
leflunomide|75706-12-6|Arava|lefunamide|Leflunomida|Leflunomidum|Repso|leflunomide medac|HWA 486|HWA-486|5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide|Leflunomidum [INN-Latin]|5-methyl-N-(4-(trifluoromethyl)phenyl)isoxazole-4-carboxamide|SU 101 (pharmaceutical)|SU101|Leflunomide teva|SU-101|Leflunomide winthrop|5-Methylisoxazole-4-carboxylic acid (4-trifluoromethyl)anilide|Leflunomida [INN-Spanish]|SULOL|Arava (TN)|Leflunomide ratiopharm|5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide|Arabloc|alpha,alpha,alpha-Trifluoro-5-methyl-4-isoxazolecarboxy-p-toluidide|HSDB 7289|4-Isoxazolecarboxamide, 5-methyl-N-[4-(trifluoromethyl)phenyl]-|UNII-G162GK9U4W|NSC-677411|NSC-759864|CHEBI:6402|G162GK9U4W|5-methyl-N-[4-(trifluoromethyl)phenyl]isoxazole-4-carboxamide|DTXSID9023201|L04AA13|N-(4'-Trifluoromethylphenyl)-5-methylisoxazole-4-carboxamide|CHEMBL960|5-Methylisoxazole-4-(4-trifluoromethylcarboxanilide)|RS-34821|MLS000069648|DTXCID103201|4-Isoxazolecarboxamide, 5-methyl-N-(4-(trifluoromethyl)phenyl)-|Leflunomide [USAN:USP:INN:BAN]|MFCD00867593|NSC677411|NSC 677411|NSC 759864|NCGC00015610-02|SMR000058209|Leflunomide 100 microg/mL in Acetonitrile|CAS-75706-12-6|Leflunomidum (INN-Latin)|Leflunomida (INN-Spanish)|LEFLUNOMIDE (MART.)|LEFLUNOMIDE [MART.]|LEFLUNOMIDE (USP-RS)|LEFLUNOMIDE [USP-RS]|LEFLUNOMIDE (EP IMPURITY)|LEFLUNOMIDE [EP IMPURITY]|LEFLUNOMIDE (EP MONOGRAPH)|LEFLUNOMIDE [EP MONOGRAPH]|N-(4-trifluoromethylphenyl)-5-methylisoxazole-4-carboxamide|LEFLUNOMIDE (USP MONOGRAPH)|LEFLUNOMIDE [USP MONOGRAPH]|Leflunomide (USAN:USP:INN:BAN)|N-(4-(TRIFLUOROMETHYL)PHENYL) 5 METHYLISOXAZOLE-4-CARBOXAMIDE|Lefunomide [Inn-Spanish]|Leflunomide [INN]|SR-01000000191|5-methyl-N-(4-(trifluoromethyl)phenyl)-1,2-oxazole-4-carboxamide|HWA486|N-(4-trifluoromethyphenyl)-5-methylisoxazole-4-carboxamide|Prestwick_87|SU 101|5-methyl-N-|Spectrum_000322|LEFLUNOMIDE [MI]|Opera_ID_1709|Prestwick0_000772|Prestwick1_000772|Prestwick2_000772|Prestwick3_000772|Spectrum5_000850|LEFLUNOMIDE [JAN]|Lopac-L-5025|LEFLUNOMIDE [HSDB]|LEFLUNOMIDE [USAN]|L 5025|LEFLUNOMIDE [VANDF]|SCHEMBL5057|BIDD:PXR0189|Lopac0_000649|BSPBio_000844|KBioSS_000802|LEFLUNOMIDE [WHO-DD]|Leflunomide, Immunosuppressant|MLS001076267|DivK1c_000916|Leflunomide (JAN/USP/INN)|SPECTRUM1503927|5-Methylisoxazole-4-(4-trifluoromethyl)carboxanilide|SPBio_002783|LEFLUNOMIDE [EMA EPAR]|BPBio1_000930|GTPL6825|HMS502N18|KBio1_000916|KBio2_000802|KBio2_003370|KBio2_005938|LEFLUNOMIDE [ORANGE BOOK]|NINDS_000916|4-Isoxazolecarboxamide, 5-methyl-N-(4-(trifluoromethyl)phenyl|HMS1570K06|HMS1922M06|HMS2090O12|HMS2097K06|HMS2235C07|HMS3262A19|HMS3268D12|HMS3371F21|HMS3414P03|HMS3654F07|HMS3673M17|HMS3678N21|HMS3714K06|HMS3865I13|Leflunomide for peak identification|Pharmakon1600-01503927|BCP22241|HY-B0083|Tox21_110182|Tox21_301873|Tox21_500649|BDBM50054601|DL-433|NSC759864|s1247|STL426823|AKOS000265193|Tox21_110182_1|AC-6796|BCP9000846|CCG-204736|CS-1781|DB01097|KS-1076|LP00649|SB17287|SDCCGSBI-0050629.P003|IDI1_000916|NCGC00015610-01|NCGC00015610-03|NCGC00015610-04|NCGC00015610-05|NCGC00015610-06|NCGC00015610-07|NCGC00015610-08|NCGC00015610-09|NCGC00015610-10|NCGC00015610-11|NCGC00015610-12|NCGC00015610-13|NCGC00015610-14|NCGC00015610-17|NCGC00015610-18|NCGC00015610-30|NCGC00022625-03|NCGC00022625-04|NCGC00022625-05|NCGC00022625-06|NCGC00022625-07|NCGC00022625-08|NCGC00255370-01|NCGC00261334-01|BM164612|A9622|AB00052389|EU-0100649|L0250|NS00003822|SW196399-3|C07905|D00749|EN300-119495|MLS-0003109.0001|AB00052389-17|AB00052389-18|AB00052389_19|AB00052389_21|Q248550|Q-201289|SR-01000000191-2|SR-01000000191-4|SR-01000000191-7|BRD-K78692225-001-03-9|BRD-K78692225-001-11-2|Z228668542|5-methyl-4-(4-trifluoromethyl-phenyl)aminocarbonylisoxazole|5-methyl-4-(4-trifluoromethylphenyl)aminocarbonylisoxazole|5-methylisoxazole-4-carboxylic acid trifluoromethylanilide|Leflunomide, European Pharmacopoeia (EP) Reference Standard|5-Methyl-N-[4-(trifluoromethyl)-phenyl]isoxazole-4-carboxamide|5-methylisoxazole-4-carboxylic acid (4-trifluoromethyl)-anilide|N-(4-trifluoromethylphenyl)-5-methylisoxa-zole-4-carboxamide|Isoxazole-4-carboxamide, 5-methyl-N-[4-(trifluoromethyl)phenyl]-|Leflunomide, United States Pharmacopeia (USP) Reference Standard|5-methyl-N-(4-(trifluoromethyl)phenyl)isoxazole-4-carboxamide;Leflunomide|HWA486; RS-34821; SU101;HWA 486; RS 34821; SU 101|Leflunomide, Pharmaceutical Secondary Standard; Certified Reference Material|Leflunomide for peak identification, European Pharmacopoeia (EP) Reference Standard
270.210
C12H9F3N2O2
55.100
327.000
2.500
19
1
6
2
InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)
CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F
CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F
VHOGYURTWQBHIL-UHFFFAOYSA-N
5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
270.062
270.062
0
1
0
0
0
0
0
0
0
8851
60594
11008
2D+3D
Leflunomide
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar
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
20050325
10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Achemtek|Acmec Biochemical|Activate Scientific|Active Biopharma|Adooq BioScience|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alinda Chemical|Alsachim|Amadis Chemical|Ambeed|Ambinter|Amfluoro|AN PharmaTech|Angel Pharmatech Ltd.|Angene Chemical|AOBIOUS INC|ApexBio Technology|Ark Pharm, Inc.|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurum Pharmatech LLC|AvaChem Scientific|Axon Medchem|BenchChem|BePharm Ltd.|BIDD|BindingDB|BioChemPartner|Biocore|BioCrick|Biosynth|BLD Pharm|BOC Sciences|Boerchem|Broad Institute|Burnham Center for Chemical Genomics|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemDB|Chemenu Inc.|chemical genetic matrix|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|Chen Lab, School of Medicine, Emory University|Chung Lab, Department of Pediatrics, Emory University|Circadian Research, Kay Laboratory, University of California at San Diego (UCSD)|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|Crystallography Open Database (COD)|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|Day Biochem|DC Chemicals|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|DTP/NCI|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Emory University Molecular Libraries Screening Center|Enamine|eNovation Chemicals|EPA DSSTox|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fisher Drug Discovery Resource Center|Fragmenta|Fredberg Lab, Harvard T.H. Chan School of Public Health|Genome Instability in Tumors (B420) group, DKFZ|Glentham Life Sciences Ltd.|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Guri Giaever, Pharmaceutical Sciences, University of British Columbia|Hangzhou APIChem Technology|Hangzhou Trylead Chemical Technology|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LeadScope|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Milwaukee Institute for Drug Discovery|MLSMR|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NextBio|NextMove Software|NIAID ChemDB|NIH/NCATS RNAi|NINDS Approved Drug Screening Program|NORMAN Suspect List Exchange|NovoSeek|OChem|OXCHEM CORPORATION|Paczesny and Yang Labs, IUPUI and University of Michigan|Parchem|PATENTSCOPE (WIPO)|PDSP|Phion Ltd|Probes & Drugs portal|Prous Science Drugs of the Future|PubChem Reference Collection|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|Sinfoo Biotech|Small Molecule Screening Facility, UW Madison|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|SureChEMBL|Synblock Inc|SYNCHEM OHG|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thermo Fisher Scientific|Thieme Chemistry|Thomson Pharma|TimTec|Tocris Bioscience|Tox21|ToxPlanet|TripleBond|UCLA Molecular Screening Shared Resource|UCSC Chemical Screening Center|University of Iowa High-Throughput Screening Core (UIHTS)|University of Kansas High Throughput Screening Laboratory|University of Pittsburgh Molecular Library Screening Center|Vitas-M Laboratory|VladaChem|VWR, Part of Avantor|Wikidata|Wiley|Win-Win Chemical|Wolves R&D chemical|Wubei-Biochem|Wutech|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZINC|Zoeller Lab, School of Medicine, Boston University
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4594
Omeprazole
omeprazole|73590-58-6|Losec|Prilosec|Esomeprazole|Antra|Audazol|Omeprazon|Mopral|Omapren|Parizac|Ceprandal|Dizprazol|Emeproton|Epirazole|Gastrimut|Gastroloc|Inhibitron|Logastric|Peptilcer|Sanamidol|Secrepina|Ulcometion|Belmazol|Dudencer|Gibancer|Indurgan|Inhipump|Miracid|Omepral|Omeprol|Ompanyt|Pepticum|Prazidec|Ramezol|Ulceral|Ulcesep|Ulcozol|Zegerid|Desec|Elgam|Lomac|Mepral|Omezol|Omisec|Omizac|Ozoken|Prysma|Ulsen|Ultop|Zefxon|Zimor|Zoltum|Miol|Ocid|Omed|OMEP|Omid|Demeprazol|Nopramin|Omezolan|Paprazol|Pepticus|Prazentol|Prazolit|Procelac|Regulacid|Danlox|Erbolin|Lensor|Morecon|Nilsec|Olexin|Omegast|Omesek|Ortanol|Proclor|Result|Ulcsep|Victrix|Zepral|Exter|Gasec|Ulzol|Tedec Ulceral|Omebeta 20|AULCER|Omeprazol|Osiren|Antra MUPS|Omez|Omeprazolum|Omerprazole|Gastrogard|Omepradex|H 168/68|Omesec|119141-88-7|Omeprazol [INN-Spanish]|Omeprazolum [INN-Latin]|Nuclosina|Omeprazole delayed-release|(+-)-Omeprazole|Omeprazole 13CD3|CCRIS 7099|HSDB 3575|H-168/68|OMZ|MFCD00083192|Prestwick_808|5-Methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)sulfinyl)benzimidazole|NSC-751450|NSC-759192|UNII-KG60484QX9|1H-Benzimidazole, 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-|6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole|DTXSID6021080|CHEBI:77260|Esomeprazole sodium salt|KG60484QX9|6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole|Aisi'aomeilazuona Esomeprazole Sodium|326602-80-6|CHEMBL1503|2-(((3,5-Dimethyl-4-methoxy-2-pyridyl)methyl)sulfinyl)-5-methoxy-1H-benzimidazole|5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole|5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole|5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole|MLS000069373|DTXCID501080|ZEGERID COMPONENT OMEPRAZOLE|73590-58-6 (free form)|YOSPRALA COMPONENT OMEPRAZOLE|5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-3H-benzoimidazole|5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methane]sulfinyl}-1H-1,3-benzodiazole|OMEPRAZOLE COMPONENT OF ZEGERID|NSC 751450|NSC 759192|Omeprazole [USAN:USP:INN:BAN:JAN]|OMEPRAZOLE COMPONENT OF YOSPRALA|NCGC00016925-06|Esomperazole|SMR000058847|Emilok|CAS-73590-58-6|Omeprazol (INN-Spanish)|Omeprazolum (INN-Latin)|Esomeprazole Sodium|5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]sulfinyl]benzimidazole|OMEPRAZOLE (MART.)|OMEPRAZOLE [MART.]|(s)-omeprazole sodium|2-({[3,5-dimethyl-4-(methyloxy)pyridin-2-yl]methyl}sulfinyl)-5-(methyloxy)-1H-benzimidazole|OMEPRAZOLE (USP-RS)|OMEPRAZOLE [USP-RS]|( -)-Omeprazole|(R)-5-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole|OMEPRAZOLE (USP IMPURITY)|OMEPRAZOLE [USP IMPURITY]|Omeprazone|Omebeta|Omeprazen|OMEPRAZOLE (USP MONOGRAPH)|OMEPRAZOLE [USP MONOGRAPH]|Olit|Omeprazole (USAN:USP:INN:BAN:JAN)|Omeprazole Pellets|1H-Benzimidazole,5-methoxy-2-[(R)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-|5-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole|5-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl)-1H-benzo[d]imidazole|5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-1H-benzimidazole|Prilosec (TN)|5-METHOXY-2-(((4-METHOXY-3,5,-DIMETHYL-2-PYRIDINYL)-METHYL)SULPHINYL)-1H-BENZIMIDAZOLE|(S)-6-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole|SR-01000003003|omeprazolo|UlcerGard|OmeprazoleDR|welby omeprazole|Omeprazole Dr|SAN-15|161796-78-7|careone omeprazole|Leader Omeprazole|Omeprazole, solid|5-Methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-1H-benzimidazole|AGI-010|Omeprazole,(S)|Sunmark Omeprazole|Topcare Omeprazole|24 hr omeprazole|Omeprazole-[d3]|Equaline Omeprazole|good now omeprazole|(RS)-6-METHOXY-2-((4-METHOXY-3,5-DIMETHYLPYRIDIN-2-YL) METHYLSULFINYL)-1H-BENZO(D)IMIDAZOLE|(RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl) methylsulfinyl)-1H-benzo[d]imidazole|Care One Omeprazole|DG health omperazole|Dg Health Omeprazole|Omeprazole - Bio-X|caring mill omeprazole|Good Sense Omeprazole|Sound Body Omeprazole|Up and Up Omeprazole|DM-3458|5-Methoxy-2-|Omeprazole (Prilosec)|Core Values Omeprazole|Health Mart Omeprazole|Members Mark Omeprazole|OMEPRAZOLE [MI]|Harris Teeter Omeprazole|OmeprazoleDelayed Release|OMEPRAZOLE [INN]|OMEPRAZOLE [JAN]|Maybridge4_002645|Opera_ID_1863|Prestwick0_000493|Prestwick1_000493|Prestwick2_000493|Prestwick3_000493|Quality Choice Omeprazole|Signature Care Omeprazole|(.+/-.)-Omeprazole|OMEPRAZOLE [HSDB]|OMEPRAZOLE [USAN]|O0359|Exchange Select Omeprazole|Family Wellness Omeprazole|OMEPRAZOLE [VANDF]|UPCMLD-DP075|cid_4594|foster and thrive omeprazole|SCHEMBL1191|OMEPRAZOLE [WHO-DD]|H168/68|Kirkland Signature Omeprazole|BSPBio_000385|Berkley and Jensen Omeprazole|MLS001076112|MLS001424148|MLS006010400|MLS006011759|BIDD:GT0189|SPBio_002306|BPBio1_000425|CHEBI:7772|GTPL4279|Omeprazole (JP17/USP/INN)|Esomeprazole sodium salt hydrate|OMEPRAZOLE [GREEN BOOK]|OMEPRAZOLE [ORANGE BOOK]|SCHEMBL11995456|UPCMLD-DP075:001|CHEBI:91766|Equate omeprazole delayed release|A02BC01|Good Neighbor Pharmacy Omeprazole|TopCare Omeprazole delayed release|equaline omeprazole delayed release|HMS1528I05|HMS1569D07|HMS2052G17|HMS2090E16|HMS2090F11|HMS2096D07|HMS2232B21|HMS3269D17|HMS3394G17|HMS3413J07|HMS3651A11|HMS3677J07|HMS3713D07|Pharmakon1600-01505693|(S)-Omeprazole sodium salt hydrate|AMY30573|BCP05852|BCP13592|BCP21299|HY-B0113|2,3,5-Trimethylpyridine/Omeprazole|Tox21_110686|Tox21_200509|AC-401|BBL028172|BDBM50103597|BDBM50241343|DL-462|good sense omeprazole delayed release|MFCD23135254|NSC751450|NSC759192|s1389|STK623746|119141-88-7 (base)|AKOS005066653|AKOS015895343|Tox21_110686_1|AC-4676|CCG-101130|CCG-213517|CS-1868|DB00338|HS-0055|NC00380|IDI1_032523|NCGC00016925-01|NCGC00016925-02|NCGC00016925-03|NCGC00016925-04|NCGC00016925-05|NCGC00016925-07|NCGC00016925-08|NCGC00016925-10|NCGC00016925-11|NCGC00021522-03|NCGC00021522-04|NCGC00021522-05|NCGC00258063-01|Omeprazole, analytical reference material|BO164173|SY009746|SY077145|SBI-0206896.P001|Equate omeprazole delayed releaseacid reducer|H 199|NS00003806|SW196942-4|6-Methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole sodium salt|A19447|C07324|D00455|EN300-117238|668985-31-7 (Mg)|A837865|A892647|A937349|Q422210|SR-01000003003-4|SR-01000003003-7|SR-01000003003-8|5-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)|BRD-A55962179-001-04-9|BRD-A55962179-001-08-0|BRD-A55962179-001-20-5|BRD-A88691025-001-07-4|F0001-2386|Z1501475006|Omeprazole, British Pharmacopoeia (BP) Reference Standard|Omeprazole, European Pharmacopoeia (EP) Reference Standard|Omeprazole, United States Pharmacopeia (USP) Reference Standard|2-(3-methoxy-2,4-dimethylbenzylsulfinyl)-6-methoxy-1H-benzo[d]imidazole|5-Methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2- pyridinyl)methyl)sulfinyl)-|Omeprazole, Pharmaceutical Secondary Standard; Certified Reference Material|(+)-5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-sulfinyl]-1h-benzimidazole|(-)-5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-sulfinyl]-1h-benzimidazole|(RS)-5-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzimidazole|(RS)-5-Methoxy-2-(4-methoxy-3,5-dimethyl-2-pyridylmethylsulphinyl)benzimidazole|(S)-5-Methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-3H-benzoimidazole|5-methoxy 2-[[(4-methoxy-3,5-dimethyl-2-pyrdinyl)-methyl]sulfinyl]-1H-benzimidazole|5-methoxy 2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methyl]sulfinyl]-1 H-benzimidazole|5-methoxy 2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methyl]sulfinyl]-1H-benzimidazole|5-methoxy-2-(2-(4-methoxy-3,5-dimethylpyridin-2-yl)ethylsulfinyl)-1H-benzo[d]imidazole|5-Methoxy-2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole|5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]sulfinyl- 1H-benzimidazole|5-Methoxy-2-[(RS)-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl]-1H-benzimidazole|5-methoxy-2-[[(3,5-dimethyl-4-methoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole|5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulphinyl]-1H-benzimidazole|5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]sulfinyl]-benzimidazole|5-methoxy-2-[[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulphinyl]1H-benzimidazole|6-methoxy-2-(((4-methoxy-3,5-dimethyl pyridin-2-yl)methyl)sulfinyl)-1h-benzo[d]imidazole|6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl)-1H-benzo[d]imidazole|6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole|6-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-1H-benzimidazole|6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methyl]sulfinyl]-1h-benzimidazole|6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1h-benzimidazole|6-methoxy-2-[[(4-methoxy-3,5dimethyl-2-pyridinyl)-methyl]sulfinyl]-1h-benzimidazole|6-methoxy-2-[[(4-methoxy3,5-dimethyl-2-pyridinyl)-methyl]sulfinyl]-1h-benzimidazole|6-methoxy-2-[[(4methoxy-3,5-dimethyl2-pyridinyl)methyl]sulfinyl]-1h-benzimidazole|Omeprazole for peak identification, European Pharmacopoeia (EP) Reference Standard|rac-5-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzimidazole|(omeprazole)5-Methoxy-2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole|1H-BENZIMIDAZOLE,6-METHOXY-2-[(R)-[(4-METHOXY-3,5-DIMETHYL-2-PYRIDINYL)METHYL]SULFINYL]-|5-Methoxy-2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole (omeprazole)|5-Methoxy-2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole(Omeprazole)
345.400
C17H19N3O3S
96.300
453.000
2.200
24
1
6
5
InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC
CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC
SUBDBMMJDZJVOS-UHFFFAOYSA-N
6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole
345.115
345.115
0
1
0
1
0
1
0
0
0
23529
56350
20528
2D+3D
Omeprazole
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar
16
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001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|4C Pharma Scientific Inc|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Achemica|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|AlchemyPharm|Alfa Chemistry|Alsachim|Amadis Chemical|Ambeed|Ambinter|AN PharmaTech|Angene Chemical|ApexBio Technology|Apexmol|Aribo Reagent|Ark Pharm, Inc.|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|AvaChem Scientific|BenchChem|BePharm Ltd.|Bic Biotech|BIDD|BindingDB|BioChemPartner|Biocore|BioCrick|Biopharma PEG Scientific Inc|Biosynth|BLD Pharm|BOC Sciences|Boerchem|Broad Institute|Burnham Center for Chemical Genomics|C. David Weaver Laboratory, Vanderbilt University|Calbiochem|CAPOT|Carcinogenic Potency Database (CPDB)|CC_PMLSC|CCSbase|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemDB|Chemenu Inc.|ChemExper Chemical Directory|ChemFish Tokyo Co., Ltd.|Chemical Carcinogenesis Research Information System (CCRIS)|chemical genetic matrix|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|China MainChem Co., Ltd|CHIRALEN|Chung Lab, Department of Pediatrics, Emory University|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|CSNpharm|CymitQuimica|DAOGE BIOPHARMA|DC Chemicals|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|EMD Millipore|eMolecules|Enamine|eNovation Chemicals|enviPath|EPA DSSTox|EPA Substance Registry Services|EvitaChem|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fisher Drug Discovery Resource Center|Founder Pharma|Fredberg Lab, Harvard T.H. Chan School of Public Health|Glentham Life Sciences Ltd.|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Guri Giaever, Pharmaceutical Sciences, University of British Columbia|Hairui Chemical|Hangzhou APIChem Technology|Hangzhou Trylead Chemical Technology|Hefei Hirisun Pharmatech Co., Ltd|Horrigan Lab, Baylor College of Medicine|Human Metabolome Database (HMDB)|Hunan Chemfish Pharmaceutical Co., Ltd.|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|Innovapharm|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LeadScope|LEAPCHEM|LGC Standards|Life Chemicals|MassBank Europe|MassBank of North America (MoNA)|Mcule|MedChemexpress MCE|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Milwaukee Institute for Drug Discovery|MLSMR|MolCore|Molecule Market|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NextBio|NextMove Software|NIAID ChemDB|NIH Clinical Collection|NIH/NCATS RNAi|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|Novartis Institutes for BioMedical Research|NovoSeek|Oakwood Products|OChem|OXCHEM CORPORATION|Parchem|PATENTSCOPE (WIPO)|PDSP|Petrascheck Lab, The Scripps Reserach Institute, Department of Molecular Medicine|Phion Ltd|Pi Chemicals|Probes & Drugs portal|Prous Science Drugs of the Future|PubChem Reference Collection|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|Small Molecule Screening Facility, UW Madison|Smolecule|Southern Research Institute|Springer Nature|SRMLSC|Starshine Chemical|SureChEMBL|Syntech Labs|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thermo Fisher Scientific|Thieme Chemistry|Thomson Pharma|Tocris Bioscience|Tox21|ToxPlanet|Tractus|TripleBond|U-M Center for Drug Repurposing|Uchem Meditech|UCLA Molecular Screening Shared Resource|UCSC Chemical Screening Center|University of Iowa High-Throughput Screening Core (UIHTS)|University of Kansas High Throughput Screening Laboratory|Vitas-M Laboratory|VladaChem|VWR, Part of Avantor|Wikidata|Wiley|Wubei-Biochem|Wutech|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances
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C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor|A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors|D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors|D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
2541
Candesartan
candesartan|139481-59-7|CV-11974|1-((2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylic acid|2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid|CV 11974|UNII-S8Q36MD2XX|S8Q36MD2XX|NSC-759858|2-Ethoxy-1-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-7-benzimidazolecarboxylic acid|CANDEMORE|CHEBI:3347|DTXSID0022725|HSDB 7520|TCV-116 (prodrug)|CHEMBL1016|DTXCID202725|EC 604-138-8|MFCD00864463|NSC 759858|1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-|NCGC00167474-01|1-((2'-(2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylic acid|C24H20N6O3|[3H]candesartan|2-Ethoxy-1-((2-(1H-tetrazole-5-yl)biphenyl-4-yl)methyl)-1H-benzamidazole-7-carboxylic acid.|2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylic acid|1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylic acid|2-(ethyloxy)-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylic acid|2-ethoxy-1-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-1H-benzimidazole-7-carboxylic acid|2-ethoxy-1-({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl)-1H-benzimidazole-7-carboxylic acid|Candesartan [INN]|CAS-139481-59-7|SR-05000001447|Candesartan (USAN/INN)|candesartanum|Candesartan [USAN:INN:BAN]|2-ethoxy-1-((2'-(1H-tetrazol-5-yl)biphenyl-4ethyl))-1H-benzimidazole-7-carboxylic acid|2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4ethyl]}-1H-benzimidazole-7-carboxylic acid|2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-benzimidazolecarboxylic acid|2-ethoxy-1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1H-benzimidazole-7-carboxylic acid|2-ethoxy-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid|2-ethoxy-7-carboxy-1-(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methylbenzimidazole|Candesartan- Bio-X|CELEXETIL|candesartan (Atacand)|KS-5003|CANDESARTAN [MI]|CANDESARTAN [HSDB]|CANDESARTAN [USAN]|CANDESARTAN [VANDF]|SCHEMBL3938|2-ethoxy-3-[[4-[2-(1h-tetrazol-5-yl)phenyl]phenyl]methyl]-3h-benzoimidazole-4-carboxylic acid|CANDESARTAN [WHO-DD]|GTPL587|Candesartan 100 microg/mL in Acetonitrile:Methanol|MLS003915631|MLS004774041|BIDD:GT0350|GTPL6907|C09CA06|BCPP000302|HMS2089M22|HMS3651C13|HMS3715F13|Pharmakon1600-01502288|BCP01137|HY-B0205|STR09609|Tox21_112478|BDBM50240609|NSC755311|NSC759858|s1578|AKOS015888154|AKOS025117340|Tox21_112478_1|AB07470|AM84369|BCP9000479|CCG-213059|CCG-269122|DB13919|NSC-755311|NCGC00167474-02|NCGC00167474-04|NCGC00167474-06|2-Ethoxy-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]-1H-benzimidazole-7-carboxylic Acid (Candesartan)|2-Ethoxy-3-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl] methyl]-3H-benzoimidazole-4-carboxylic acid|BC164271|SMR002203608|SMR003500711|SY065768|NS00009281|SW199612-2|C07468|D00522|AB01275447-01|AB01275447_02|AB01275447_03|EN300-6491073|A807545|A808309|L000156|Q415970|J-007281|SR-05000001447-1|SR-05000001447-2|SR-05000001447-5|CANDESARTAN CILEXETIL IMPURITY G [EP IMPURITY]|Z1741968269|2-Ethoxy-1-[[2'-(1 H-tetrazol-5-yl)biphenyl-4-yl]methyl]-benzimidazole-7-carboxylic acid|2-Ethoxy-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]-benzimidazole-7-carboxylic acid|2-Ethoxy-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylic Acid|2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzimidazole-4-carboxylic acid|1-((2'-(2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylicacid|1-[(2 inverted exclamation mark -(5-Tetrazolyl)-4-biphenylyl)methyl]-2-ethoxybenzimidazole-7-carboxylic Acid|2-ethoxy-1-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-1,3-benzodiazole-7-carboxylic acid|2-ethoxy-1-[[2'-(2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1h-benzimidazole-7-carboxylic acid|2-ethoxy-1-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole-7-carboxylic acid|2-ethoxy-1-{[2'-(2H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole-7-carboxylic acid|2-Ethoxy-3-((4-(2-(2H-tetrazol-5-yl)phenyl)phenyl)methyl)-3H-benzoimidazole-4-carboxylic Acid|2-ethoxy-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid|2-Ethoxy-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid(CV-11974)|2-Ethoxy-3-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid|2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid
440.500
C24H20N6O3
119.000
660.000
4.100
33
2
7
7
InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O
HTQMVQVXFRQIKW-UHFFFAOYSA-N
2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
440.16
440.16
0
1
0
0
0
0
0
0
0
6834
34907
6896
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
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20050325
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5281605
Baicalein
baicalein|491-67-8|5,6,7-Trihydroxyflavone|Noroxylin|5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one|Biacalein|BaiKalein|5,6,7-trihydroxy-2-phenylchromen-4-one|5,6,7-trihydroxy-2-phenyl-chromen-4-one|MFCD00017459|NSC 661431|NSC-661431|CHEBI:2979|UNII-49QAH60606|NSC661431|49QAH60606|5,6,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one|CHEMBL8260|DTXSID2022389|5,7-Trihydroxyflavone|BAICALEIN (USP-RS)|BAICALEIN [USP-RS]|Baicelein|Sho-saiko-to|SMR000112462|SR-01000597499|4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-2-phenyl-|Baicalein, 8|Baicalein,(S)|3WL|Baicalein, 14|Baicalein, 98%|Spectrum_000427|Tocris-1761|SpecPlus_000758|BAICALEIN [MI]|BAICALEIN [INCI]|Spectrum2_000466|Spectrum3_001608|Spectrum4_000537|Spectrum5_001418|BAICALEIN [WHO-DD]|Oprea1_765614|BSPBio_003215|KBioGR_001173|KBioSS_000907|MLS002473007|MLS006011756|BIDD:ER0121|DivK1c_006854|SCHEMBL139617|SPECTRUM1504002|SPBio_000572|DTXCID802389|GTPL5144|KBio1_001798|KBio2_000907|KBio2_003475|KBio2_006043|KBio3_002435|HMS1922O22|HMS2267F15|HMS3268C22|HMS3412F14|HMS3649O19|HMS3655P18|HMS3676F14|BCP14393|HY-N0196|TNP00121|BBL027840|BDBM50009001|CCG-38705|LMPK12111095|NSC729192|s2268|STL146746|AKOS005747014|AC-7991|CS-6159|NSC-729192|SDCCGMLS-0066744.P001|Baicalein, analytical reference material|SMP1_000037|NCGC00017236-01|NCGC00017236-02|NCGC00017236-03|NCGC00017236-04|NCGC00017236-05|NCGC00017236-06|NCGC00017236-07|NCGC00017236-08|NCGC00017236-10|NCGC00017236-11|NCGC00025282-01|NCGC00025282-02|NCGC00025282-03|NCGC00025282-04|NCGC00178204-01|AS-57923|PD132943|SY057137|5,6,7-Trihydroxy-2-phenyl-chroman-4-one|NS00097437|SW219229-1|T2721|EN300-303171|S00113|5,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one|A827663|Q-100550|Q2879363|SR-01000597499-1|SR-01000597499-3|SR-01000597499-4|SR-01000597499-6|W-202870|BRD-K72327355-001-02-2|BRD-K72327355-001-06-3|Z1824568302
270.240
C15H10O5
87.000
413.000
1.700
20
3
5
1
InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O
FXNFHKRTJBSTCS-UHFFFAOYSA-N
5,6,7-trihydroxy-2-phenylchromen-4-one
270.053
270.053
0
1
0
0
0
0
0
0
0
3478
7151
3406
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
16
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20040916
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D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D011448 - Prostaglandin Antagonists|D020011 - Protective Agents > D000975 - Antioxidants|D004791 - Enzyme Inhibitors|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from PDB, Protein Data Bank
392622
Ritonavir
ritonavir|155213-67-5|Norvir|ABT-538|A-84538|Abbott 84538|ABBOTT-84538|Empetus|Ritomune|Ritovir|Viriton|DRG-0244|RTV|Ritonavirum|Viekirax|CHEBI:45409|HSDB 7160|ABT 538|TMC 114r|NSC-693184|UNII-O3J8G9O825|DTXSID1048627|O3J8G9O825|NSC693184|CHEMBL163|1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate|2,7,10,12-Tetraazatridecanoic acid, 4-hydroxy-12-methyl-9-(1-methylethyl)-13-[2-(1-methylethyl)-4-thiazolyl]-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S,4S,6S,9S)-|5-Thiazolylmethyl ((alphaS)-alpha-((1S,3S-1-hydroxy-3-((2S)-2-(3-((2-isopropyl-4-thiazolyl)methyl)-3-methylureido)-3-methylbutyramido)-4-phenylbutyl)phenethyl)carbamate|DTXCID8028553|KALETRA COMPONENT RITONAVIR|PAXLOVID COMPONENT RITONAVIR|VIEKIRAX COMPONENT RITONAVIR|MFCD00927142|RITONAVIR COMPONENT OF KALETRA|RITONAVIR COMPONENT OF VIEKIRAX|NSC 693184|NSC 760369|5-Thiazolylmethyl ((alphaS)-alpha-((1S,3S)-1-hydroxy-3-((2S)-2-(3-((2-isopropyl-4-thiazolyl)methyl)-3-methylureido)-3-methylbutyramido)-4-phenylbutyl)phenethyl)carbamate|RIT|thiazol-5-ylmethyl ((2S,3S,5S)-3-hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanamido)-1,6-diphenylhexan-2-yl)carbamate|Ritonavir [USAN]|NCGC00159462-02|NCGC00183130-01|Norvir Softgel|RITONAVIR (MART.)|RITONAVIR [MART.]|2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-|N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide|thiazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate|RITONAVIR (USP IMPURITY)|RITONAVIR [USP IMPURITY]|RITONAVIR (USP MONOGRAPH)|RITONAVIR [USP MONOGRAPH]|ABT538|C37H48N6O5S2|1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[(2S)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]carbamate|2,4,7,12-TETRAAZATRIDECAN-13-OIC ACID, 10-HYDROXY-2-METHYL-5-(1-METHYLETHYL)-1-(2-(1-METHYLETHYL)-4-THIAZOLYL)-3,6-DIOXO-8,11-BIS(PHENYLMETHYL)-5-THIAZOLYLMETHYL ESTER (5S-(5R*,8R*,10R*,11R*))-|2,7,10,12-TETRAAZATRIDECANOIC ACID, 4-HYDROXY-12-METHYL-9-(1-METHYLETHYL)-13-(2-(1-METHYLETHYL)-4-THIAZOLYL)-8,11-DIOXO-3,6-BIS(PHENYLMETHYL)-, 5-THIAZOLYLMETHYL ESTER, (3S,4S,6S,9S)-|SMR000466395|thiazol-5-ylmethyl (2S,3S,5S)-3-hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanamido)-1,6-diphenylhexan-2-ylcarbamate|Norvir (TM)|Norvir (TN)|CAS-155213-67-5|1,3-Thiazol-5-ylmethyl N-[(2S,3S,5R)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenyl-hexan-2-yl]carbamate|1hxw|3prs|3tne|4eyr|Ritonavir [USAN:USP:INN:BAN]|Ritonavir- Bio-X|2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-[2-(1-methylethyl)-4-thiazolyl]-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, [5S-(5R*,8R*,10R*,11R*)]-|5-Thiazolylmethyl [(alphaS)-alpha-[(1S,3S)-1-hydroxy-3-[(2S)-2-[3-[(2-isopropyl-4-thiazolyl)methyl]-3-methylureido]-3-methylbutyramido]-4-phenylbutyl]phenethyl]carbamate|N-((2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-(((1,3-thiazol-5-ylmethoxy)carbonyl)amino)hexan-2-yl)-N(2)-(methyl((2-(propan-2-yl)-1,3-thiazol-4-yl)methyl)carbamoyl)-L-valinamide|N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N(2)-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide|Ritonavir & PLGA|Norvir, Norvir Softgel|1sh9|RITONAVIR [INN]|RITONAVIR [JAN]|RITONAVIR [MI]|RITONAVIR [HSDB]|RITONAVIR [VANDF]|RITONAVIR [USP-RS]|RITONAVIR [WHO-DD]|RITONAVIR [WHO-IP]|SCHEMBL6679|Ritonavir (JAN/USP/INN)|BIDD:PXR0023|BDBM520|RITONAVIR [EMA EPAR]|MLS000759541|MLS001424063|MLS006011764|BIDD:GT0387|GTPL8804|RITONAVIR [ORANGE BOOK]|Ritonavir, >=98% (HPLC)|J05AE03|NCDNCNXCDXHOMX-XGKFQTDJSA-N|HMS2051B08|HMS2235O10|HMS3715L22|Pharmakon1600-01502391|RITONAVIRUM [WHO-IP LATIN]|Tox21_112969|Tox21_113431|AC-733|BDBM50088504|HB6070|NSC760369|s1185|STK634209|AKOS000280930|RITONAVIR COMPONENT OF PAXLOVID|Tox21_112969_1|CCG-101007|CS-0432|DB00503|KS-5017|NC00257|NSC-760369|MRF-0000287|NCGC00159462-03|NCGC00159462-04|NCGC00159462-07|NCGC00159462-20|Ritonavir 100 microg/mL in Acetonitrile|BR164353|HY-90001|MLS000759541-02|R0116|SW197637-2|C07240|D00427|EN300-119505|AB00639991-06|AB00639991-08|AB00639991_09|AB00639991_10|A904691|Q422618|J-009178|BRD-K51485625-001-07-6|Z1521553599|(5S,8S,10S,11S)-10-Hydroxy-2-methyl-5-(1-methylethyl)-1-|(1,3-thiazol-5-yl)methyl N-[(2S,3S,5S)-3-hydroxy-5-[(2S)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]carbamate|(2S, 3S, 5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinvl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane|(2S,3S,5S )-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl) methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl) methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane|(2S,3S,5S)-5-(N-(N((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane|(2S,3S,5S)-5-(N-(N-((N-MethyI-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1.6-diphenyl-3-hydroxyhexane|(2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl) methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane|(2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino )-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane|(2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1 .6-diphenyl-3-hydroxyhexane|(2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane|(2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3hydroxyhexane|(2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1.6-diphenyl-3-hydroxyhexane|1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-di(phenyl)hexan-2-yl]carbamate|5-Thiazolylmethyl (3S,4S,6S,9S)-4-hydroxy-12-methyl-9- (1-methylethyl)-13-[2- (1-methylethyl)-4-thiazolyl]-8,11-dioxo-3,6-bis (phenylmethyl)-2,7,10,12-tetraazatridecanoate|5-Thiazolylmethyl((alphaS)-alpha-((1S,3S)-1-hydroxy-3-((2S)-2-(3-((2-isopropyl-4-thiazolyl)methyl)-3-methylureido)-3-methylbutyramido)-4-phenylbutyl)phenethyl)carbamate|N1-((1S,3S,4S)-1-benzyl-3-hydroxy-5-phenyl-4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}pentyl)-N2-{[[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)amino]carbonyl}-L-valinamide|thiazol-5-ylmethyl((2S,3S,5S)-3-hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanamido)-1,6-diphenylhexan-2-yl)carbamate
720.900
C37H48N6O5S2
202.000
1040.000
6.000
50
4
9
18
InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1
CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O
CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O
NCDNCNXCDXHOMX-XGKFQTDJSA-N
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
720.313
720.313
0
1
0
4
4
0
0
0
0
15870
59937
12384
2D
Ritonavir
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
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57276|557277|557278|557279|557280|557281|557282|557283|557284|557285|557286|557287|557288|557289|557290|557291|557292|557293|557294|557295|557296|557297|557298|557299|557300|558370|558377|558384|558391|558398|572558|572569|572570|572571|572572|572583|572584|572585|572586|572587|572588|572589|572590|572591|572592|573995|573996|573997|573998|575059|575060|575061|575062|575063|575064|588209|588210|588211|588212|588213|588214|588215|588216|588217|588218|588219|588342|588478|588511|588579|588627|588675|588676|588981|588982|588986|589039|589048|589056|589111|589163|589164|589167|589196|602332|624030|624170|624172|624173|624349|624622|624623|624626|624628|624629|625144|625145|625146|625147|625148|625149|625150|625151|625152|625153|625154|625155|625156|625157|625158|625159|625160|625161|625162|625163|625164|625165|625166|625167|625168|625169|625170|625171|625172|625173|625174|625175|625176|625177|625178|625179|625180|625181|625182|625183|625184|625185|625186|625187|625188|625189|625190|625191|625192|625193|625194|625195|625196|625197|625198|625199|625200|625201|625202|625203|625204|625205|625206|625207|625208|625209|625210|625211|625212|625213|625214|625215|625216|625217|625218|625219|625220|625221|625222|625223|625224|625225|625226|625227|625228|625229|625230|625231|625232|625233|625234|625235|625236|625237|625238|625239|625240|625241|625242|625243|625244|625245|625246|625247|625248|625249|625250|625251|625252|625253|625254|625255|625256|625257|625258|625259|625260|625261|625262|625263|625264|625265|625266|625267|625268|625269|625270|625271|625272|625273|625274|625275|625276|625279|625280|625281|625282|625283|625284|625285|625286|625287|625288|625289|625290|625291|625292|651631|651632|651633|651634|651635|651828|652048|652051|668005|671806|679070|679071|679171|679278|679665|679892|679998|680009|680122|680158|680736|680821|680917|681119|681120|681122|681128|681154|681295|681358|681518|681610|682151|686978|686979|699539|699540|699541|699542|699543|699544|705596|705597|720516|720532|720533|720552|720554|720634|720635|720637|720641|720674|720675|720678|720679|720680|720681|720682|720683|720684|720685|720686|720687|720691|720692|720693|720717|720719|720725|721739|721740|721741|721742|721743|721745|721746|721747|721748|721749|721750|721751|721752|721754|732420|738130|738131|738132|738133|738134|738136|738139|738141|738316|738317|743012|743014|743015|743033|743035|743036|743040|743041|743042|743053|743054|743063|743064|743065|743066|743067|743069|743074|743075|743077|743078|743079|743080|743081|743083|743084|743085|743086|743091|743094|743122|743139|743140|743191|743194|743199|743202|743203|743209|743210|743211|743212|743213|743215|743217|743218|743219|743220|743221|743222|743223|743224|743225|743226|743227|743228|743239|743240|743241|743242|743244|743268|743270|743271|743272|743281|743344|743345|743346|743347|977608|977610|1065160|1069006|1069007|1069008|1069009|1069010|1069011|1069012|1069013|1069065|1079931|1079932|1079933|1079934|1079935|1079936|1079937|1079938|1079939|1079940|1079941|1079942|1079943|1079944|1079945|1079946|1079947|1079948|1079949|1117298|1117301|1117302|1117303|1117304|1117305|1117310|1117311|1117312|1117314|1117315|1117318|1117319|1117326|1117329|1117336|1117340|1117341|1117342|1117343|1117346|1118938|1118939|1118940|1118943|1118944|1118945|1118946|1118947|1118948|1118949|1129361|1152127|1159387|1159390|1159509|1159515|1159516|1159517|1159518|1159519|1159520|1159521|1159523|1159525|1159526|1159527|1159528|1159529|1159531|1159551|1159552|1159553|1159555|1159607|1159614|1182731|1189129|1189130|1189131|1189133|1189134|1189135|1189136|1210949|1215086|1215347|1215348|1215349|1215350|1217704|1217710|1217711|1217716|1217719|1217721|1217723|1217726|1217727|1217728|1217729|1217733|1218863|1218864|1218865|1219727|1219728|1219729|1219730|1219731|1219732|1219733|1220554|1220555|1220556|1220557|1220558|1220559|1220560|1221956|1221957|1221958|1221960|1221961|1221962|1221963|1221964|1221965|1221967|1221971|1221972|1221973|1221978|1221979|1221980|1221982|1222388|1222389|1224824|1224825|1224834|1224835|1224836|1224837|1224838|1224839|1224840|1224841|1224842|1224843|1224844|1224845|1224846|1224847|1224848|1224849|1224857|1224859|1224863|1224867|1224868|1224869|1224870|1224871|1224872|1224873|1224874|1224875|1224876|1224877|1224878|1224879|1224880|1224881|1224882|1224883|1224884|1224885|1224886|1224887|1224888|1224889|1224890|1224892|1224893|1224894|1224895|1224896|1259241|1259242|1259243|1259244|1259247|1259248|1259251|1259252|1259253|1259255|1259256|1259310|1259325|1259344|1259364|1259365|1259366|1259367|1259368|1259369|1259374|1259377|1259378|1259379|1259380|1259381|1259382|1259383|1259384|1259385|1259386|1259387|1259388|1259389|1259390|1259391|1259392|1259393|1259394|1259395|1259396|1259397|1259398|1259400|1259401|1259402|1259403|1259404|1259406|1259413|1259416|1259421|1259422|1259423|1267608|1267609|1267610|1267611|1267612|1267613|1267617|1267618|1267619|1267620|1267624|1267626|1267628|1287914|1295706|1296008|12
20050326
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D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors|D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D000084762 - Viral Protease Inhibitors|C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C97366 - HIV Protease Inhibitor|D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065692 - Cytochrome P-450 CYP3A Inhibitors|J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AE - Protease inhibitors|C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent|D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from Guide to PHARMACOLOGY, DrugBank, clinicaltrial, clinicaltrials, clinical trial, clinical trials
3062316
Dasatinib
Dasatinib|302962-49-8|Sprycel|BMS-354825|Dasatinib anhydrous|BMS 354825|Dasatinib (anhydrous)|BMS354825|dasatinibum|N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE|anh. dasatinib|N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide|N-(2-chloro-6-methylphenyl)-2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide|anhydrous dasatinib|Dasatinib (BMS-354825)|dasatinib (anh.)|N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide|BMS Dasatinib|UNII-X78UG0A0RN|X78UG0A0RN|DTXSID4040979|CHEBI:49375|NSC732517|NSC-759877|CHEMBL1421|DTXCID2020979|BMS-354825 HYDRATE|BMS 345825|NSC-732517|5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)-1-piperazinyl)-2-methyl-4-pyrimidinyl)amino)-|5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-|NCGC00181129-01|BMS 35482513|BMS-354825-03|UNII-RBZ1571X5H|CHEBI:70839|C22H26ClN7O2S|DTXSID50235486|n-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide|SMR002529551|CAS-302962-49-8|NSC 759877|302962-49-8 pound not863127-77-9|Dasatinib [USAN:INN]|1N1|Kinome_3650|Dasatinib (JAN/INN)|DASATINIB [INN]|DASATINIB [MI]|Sprycel (Bristol Meyers)|DASATINIB [WHO-DD]|SCHEMBL8226|Dasatinib,BMS-354825|MLS003915609|MLS004774145|MLS006010904|GTPL5678|BDBM13216|cid_3062316|Dasatinib (BMS-354825)?|DTXCID50157977|EX-A401|L01XE06|5-Thiazolecarboxamide, monohydrate|BCPP000263|HMS2043N05|HMS3244A05|HMS3244A06|HMS3244B05|HMS3265C19|HMS3265C20|HMS3265D19|HMS3265D20|HMS3654K05|HMS3744C11|Pharmakon1600-01502275|BCP01797|Tox21_112736|MFCD11046566|NSC759877|NSC800087|s1021|AKOS015902363|Tox21_112736_1|BCP9000589|CCG-264779|CS-0100|DB01254|GS-6548|NSC-800087|SB17284|NCGC00181129-02|NCGC00181129-03|NCGC00181129-05|NCGC00181129-06|NCGC00181129-07|NCGC00181129-12|NCGC00181129-14|NCGC00181129-22|NCGC00481571-01|2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide|AC-22749|BCB03_000715|HY-10181|N-(2-chloro-6-methyl-phenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-pyrimidin-4-yl]amino]thiazole-5-carboxamide|AM20080877|D5949|NS00001968|PA-3062316|SW208076-5|D-3307|D03658|EN300-123025|AB01273956-01|AB01273956-02|AB01273956_03|AR-270/43507994|Q419940|SR-00000000554|Q-101345|SR-00000000554-5|BRD-K49328571-001-05-1|BRD-K49328571-001-07-7|Z1546610486|N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl}amino)-1,3-thiazole-5-carboxamide|N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl)]-2-methyl-4-pyrimidinyl]amino)]-1,3-thiazole-5-carboxamide
488.000
C22H26ClN7O2S
135.000
642.000
3.600
33
3
9
7
InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO
CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO
ZBNZXTGUTAYRHI-UHFFFAOYSA-N
N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
487.156
487.156
0
1
0
0
0
0
0
0
0
8883
51135
10677
2D+3D
Dasatinib
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
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2162
Amlodipine
amlodipine|88150-42-9|Norvasc|Amlocard|Coroval|Lipinox|Amlodipino|Amlodipinum|Amlodipine Free Base|AMLODIPINE BASE|Caduet|Istin|Amlodipinum [Latin]|CHEBI:2668|3-ethyl 5-methyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate|Amlodis|UNII-1J444QC288|HSDB 7079|HGP0904|UK-4834011|HGP-0904|Norvasc (TN)|CKD-330 COMPONENT AMLODIPINE|1J444QC288|3-ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate|DTXSID7022596|EC 425-820-1|Amlodipino [Spanish]|88150-42-9 (free base)|Amlodipinum (Latin)|MFCD00864687|(R)-Amlodipine-d4|3,5-Pyridinedicarboxylic acid, 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester|Amlodipine [INN:BAN]|AMLODIPINE (MART.)|AMLODIPINE [MART.]|Racemic Amlodipine|(RS)-3-ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate|3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester|3-Ethyl-5-methyl (+-)-2-((2-aminoethoxy)methyl)-4-(2-chlorphenyl)-1,4-dihydro-6-methyl-3,5-pyridindicarboxylat|3-Ethyl-5-methyl (+-)-2-((2-aminoethoxymethyl)-4-(o-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate|3-Ethyl-5-methyl (+-)-2-(2-aminoethoxymethyl)-4-(o-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate|3,5-PYRIDINEDICARBOXYLIC ACID, 2-((2-AMINOETHOXY)METHYL)-4-(2-CHLOROPHENYL)-1,4-DIHYDRO-6-METHYL-, 3-ETHYL 5-METHYL ESTER, (+/-)-|3-ethyl 5-methyl 2-{[(2-aminoethyl)oxy]methyl}-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate|3-O-ethyl 5-O-methyl 4-(2-chlorophenyl)-1-deuterio-2-[2-(dideuterioamino)ethoxymethyl]-6-methyl-4H-pyridine-3,5-dicarboxylate|SR-05000001461|NCGC00165957-04|Amlodipine 100 microg/mL in Acetonitrile|amlodipina|(RS)-3-ethyl 5-methyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate|2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridine|2-[2-aminoethoxymethyl]-4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridine|amlodipine (NORVASC)|AMLODIPINE [MI]|Amlodipine (USP/INN)|AMLODIPINE [INN]|Spectrum2_000486|Spectrum3_001004|Spectrum4_001132|Spectrum5_001550|AMLODIPINE [VANDF]|AMLODIPINE [WHO-DD]|CHEMBL1491|SCHEMBL26478|BSPBio_002727|KBioGR_001643|3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate|MLS001401409|AMLODIPINE [EMA EPAR]|BIDD:GT0810|SPBio_000351|DTXCID302596|GTPL6981|AMLODIPINE [ORANGE BOOK]|CHEMBL3211346|CHEMBL3304444|KBio3_001947|C08CA01|Copalia (amlodipine + valsartan)|Morphine Sulfate Pentahydrate USP|BCPP000403|HMS2052N03|HMS2089H07|HMS2231K08|HMS3370G17|HMS3394N03|HMS3651I04|HMS3713C10|BCP02420|HY-B0317|BDBM50088383|s1905|STL356053|AKOS015843475|AC-4535|BCP9000295|CCG-101157|CCG-220414|DB00381|NC00407|NCGC00165957-01|NCGC00165957-02|NCGC00165957-03|NCGC00165957-05|NCGC00165957-07|3-Ethyl 5-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate|AS-13747|BA164164|CPD000469198|O3-ethyl O5-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate|PD003146|PD033068|SMR000469198|SY104813|DB-262294|NS00000043|SW220228-1|C06825|D07450|EN300-708796|AB01209618-01|AB01274726-01|AB01274726-02|AB01274726_03|AB01274726_04|AB01274726_05|Katerzia (amlodipine oral suspension, 1 mg/mL)|A842481|Q411347|Katerzia&reg (amlodipine oral suspension, 1 mg/mL)|SR-05000001461-3|SR-05000001461-4|SR-05000001461-5|BRD-A22032524-074-02-4|BRD-A22032524-074-03-2|BRD-A22032524-074-04-0|2-(2-aminoethoxy)methyl-4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridine|2-[(2-Aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylic acid 3-ethyl 5-methylester|2-[2-Aminoethoxymethyl]-3-ethoxycarbonyl-4-(2-chlorophenyl)-5-methoxycarbonyl-6-methyl-1,4-dihydropyridine|3-ETHYL 5-METHYL (+/-)-2-((2-AMINOETHOXY)METHYL)-4-(O-CHLOROPHENYL)-1,4-DIHYDRO-6-METHYL-3,5-PYRIDINEDICARBOXYLATE|3-Ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydro-3,5-pyridinedicarboxylate|3-ethyl 5-methyl ester 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylic acid|3-Ethyl 5-methylester, (+-)-2-((2-aminoethoxy)methyl)-4-(o-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate|3-Ethyl 5-methylester, (+/-)-2-[(2-aminoethoxy)methyl]-4-(o-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate|3-Ethyl-5-methyl (+-)-2-((2-aminoethoxy)methyl)-4-(2-chlorphenyl)-1,4-dihydro-6-methyl-3,5-pyridindicarboxylate|3-Ethyl-5-methyl (.+/-.)-2-[(2-aminoethoxy)methyl]-4-(o-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate|3-ethyl5-methyl2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
408.900
C20H25ClN2O5
99.900
647.000
3.000
28
2
7
10
InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN
HTIQEAQVCYTUBX-UHFFFAOYSA-N
3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
408.145
408.145
0
1
0
1
0
1
0
0
0
14532
73380
32857
2D+3D
Amlodipine
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar
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20050325
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D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers|D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents|D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents|D000077264 - Calcium-Regulating Hormones and Agents|C - Cardiovascular system > C08 - Calcium channel blockers > C08C - Selective calcium channel blockers with mainly vascular effects > C08CA - Dihydropyridine derivatives|C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker|D049990 - Membrane Transport Modulators|C93038 - Cation Channel Blocker|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
16362
Pimozide
pimozide|2062-78-4|Orap|Opiran|Pimozidum|McN-JR-6238|pimozida|Pimozidum [INN-Latin]|Primozida|R-6238|R 6238|Primozida [INN-Spanish]|R6238|CCRIS 9172|NSC 170984|UNII-1HIZ4DL86F|2H-Benzimidazol-2-one, 1-[1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-|EINECS 218-171-7|1HIZ4DL86F|NSC-170984|McN-JR 6238|BRN 0729089|CHEBI:8212|1-(1-(4,4-Bis(p-fluorophenyl)butyl)-4-piperidyl)-2-benzimidazolinone|1-(4,4-Bis(p-fluorophenyl)butyl)-4-(2-oxo-1-benzimidazolinyl)piperidine|1-[1-[4,4-bis(4-Fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one|NSC170984|1-[1-[4,4-Bis(p-fluorophenyl)butyl]-4-piperidyl]-2-benzimidazolinone|CHEMBL1423|3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one|2H-Benzimidazol-2-one, 1-(1-(4,4-bis(4-fluorophenyl)butyl)-4-piperidinyl)-1,3-dihydro-|MLS000028410|MLS002702058|DTXSID8023474|R-623|5-24-02-00367 (Beilstein Handbook Reference)|MFCD00055081|1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one|1-{1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one|Pimozide [USAN:USP:INN:BAN:JAN]|NCGC00015802-08|NCGC00015802-18|SMR000058385|Pimozidum (INN-Latin)|CAS-2062-78-4|Primozida (INN-Spanish)|R 623|PIMOZIDE (MART.)|PIMOZIDE [MART.]|PIMOZIDE (USP-RS)|PIMOZIDE [USP-RS]|1-{1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one|DTXCID803474|PIMOZIDE (EP MONOGRAPH)|PIMOZIDE [EP MONOGRAPH]|PIMOZIDE (USP MONOGRAPH)|PIMOZIDE [USP MONOGRAPH]|Primozide|Pimozida [INN-Spanish]|Pimozide (USAN:USP:INN:BAN:JAN)|1-[4,4-Bis(p-fluorophenyl)butyl]-4-(2-oxo-1-benzimidazolinyl)piperidine|2H-BENZIMIDAZOL-2-ONE, 1-(1-(4,4-BIS(4-FLUOROPHENYL)BUTYL)-4-PIPERIDINYL)-1,3-DIHYDRO|Orap (TN)|SR-01000075392|1-[1-[4,4-Bis(4-fluorophenyl)butyl]-4-piperidyl]-2-benzimidazolinone|1-(1-(4,4-bis(4-fluorophenyl)butyl)-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one|1-(1-(4,4-BIS(4-FLUOROPHENYL)BUTYL)-4-PIPERIDYL)-2-BENZIMIDAZOLINONE|1-(1-(4,4-Bis(4-fluorophenyl)butyl)piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one|Prestwick_395|Spectrum_000445|Tocris-0937|PIMOZIDE [USAN]|PIMOZIDE [INN]|PIMOZIDE [JAN]|PIMOZIDE [MI]|PIMOZIDE [VANDF]|Opera_ID_1580|Prestwick0_000308|Prestwick1_000308|Prestwick2_000308|Prestwick3_000308|Spectrum2_001026|Spectrum3_001451|Spectrum4_000420|Spectrum5_001308|Lopac-P-1793|GTPL90|PIMOZIDE [WHO-DD]|NCIMech_000356|P 1793|Lopac0_000946|SCHEMBL41584|BSPBio_000276|BSPBio_001439|BSPBio_002941|KBioGR_000720|KBioSS_000925|MLS001077311|BIDD:GT0435|DivK1c_000386|Methyl-(2-m-tolylethyl)amine|SPECTRUM1501134|Pimozide (JP17/USP/INN)|SPBio_001211|SPBio_002495|PIMOZIDE [ORANGE BOOK]|BPBio1_000304|SCHEMBL7519553|BCBcMAP01_000043|HMS501D08|KBio1_000386|KBio2_000925|KBio2_003493|KBio2_006061|KBio3_002441|N05AG02|NINDS_000386|HMS1568N18|HMS1791H21|HMS1921H19|HMS1989H21|HMS2089C11|HMS2092F09|HMS2095N18|HMS2231P23|HMS3262N14|HMS3267E19|HMS3370N13|HMS3402H21|HMS3411J16|HMS3675J16|HMS3712N18|Pharmakon1600-01501134|Tox21_110224|Tox21_301586|Tox21_500946|BDBM50334150|CCG-35918|CCG-36461|CCG-39728|NSC757854|s4358|2-Benzimidazolinone, 1-[1-[4,4-bis(p-fluorophenyl)butyl]-4-piperidyl]-|3-[1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidyl]-1H-benzimidazol-2-one|AKOS024458706|Tox21_110224_1|DB01100|LP00946|NSC-757854|SDCCGSBI-0050920.P004|IDI1_000386|SMP1_000241|NCGC00015802-01|NCGC00015802-02|NCGC00015802-03|NCGC00015802-04|NCGC00015802-05|NCGC00015802-06|NCGC00015802-07|NCGC00015802-09|NCGC00015802-10|NCGC00015802-11|NCGC00015802-12|NCGC00015802-13|NCGC00015802-14|NCGC00015802-15|NCGC00015802-16|NCGC00015802-26|NCGC00015802-29|NCGC00016601-01|NCGC00022282-03|NCGC00024888-01|NCGC00024888-02|NCGC00024888-03|NCGC00024888-04|NCGC00024888-05|NCGC00024888-06|NCGC00024888-07|NCGC00255294-01|NCGC00261631-01|AS-13916|HY-12987|SBI-0050920.P003|AB00052215|CS-0012921|EU-0100946|NS00003971|SW196639-3|C07566|D00560|EN300-127038|F70142|AB00052215-06|AB00052215_07|AB00052215_08|L000494|Q144085|WLN: T56 BMVNJ D- DT6NTJ A3YR DF&R DF|J-013477|SR-01000075392-1|SR-01000075392-3|SR-01000075392-4|SR-01000075392-6|BRD-K01292756-001-06-0|BRD-K01292756-001-13-6|Pimozide, European Pharmacopoeia (EP) Reference Standard|2-Benzimidazolinone,4-bis(p-fluorophenyl)butyl]-4-piperidyl]-|N-benzyl-N-(3-isobutoxy-2-(pyrrolidin-1-yl)propyl)benzenamine|Pimozide, United States Pharmacopeia (USP) Reference Standard|1-[1-[4,4-Bis(p-flurophenyl)butyl]-4-piperidyl]-2-benzimidazolinone|1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one|1-{1-[4,4-bis-(4-fluoro-phenyl)-butyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one|2H-Benzimidazol-2-one,4-bis(4-fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-|1-{1-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one(Pimozide)|Pimozide (1-[1-[4,4-Bis(4-fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidaol-2-one)|PIMOZIDE1-{1-[4,4-BIS-(4-FLUORO-PHENYL)-BUTYL]-PIPERIDIN-4-YL}-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONE
461.500
C28H29F2N3O
35.600
632.000
6.300
34
1
4
7
InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
YVUQSNJEYSNKRX-UHFFFAOYSA-N
3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one
461.228
461.228
0
1
0
0
0
0
0
0
0
5527
21086
4623
2D+3D
Pimozide
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
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20050326
001Chemical|10X CHEM|1st Scientific|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alsachim|Ambinter|AN PharmaTech|Angel Pharmatech Ltd.|Angene Chemical|AOBIOUS INC|AstaTech, Inc.|Aurora Fine Chemicals LLC|AvaChem Scientific|BenchChem|BIDD|BindingDB|Biosynth|BOC Sciences|Broad Institute|Burnham Center for Chemical Genomics|CCSbase|Center for Chemical Genomics, University of Michigan|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemDB|Chemenu Inc.|Chemical Carcinogenesis Research Information System (CCRIS)|chemical genetic matrix|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemSpider|ChemTik|Chen Lab, School of Medicine, Emory University|Chung Lab, Department of Pediatrics, Emory University|Circadian Research, Kay Laboratory, University of California at San Diego (UCSD)|Clearsynth|Collaborative Drug Discovery, Inc.|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|EMD Biosciences|EMD Millipore|eMolecules|Emory University Molecular Libraries Screening Center|Enamine|EPA DSSTox|EPA Substance Registry Services|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fisher Drug Discovery Resource Center|Fredberg Lab, Harvard T.H. Chan School of Public Health|Glentham Life Sciences Ltd.|GLIDA, GPCR-Ligand Database|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Guri Giaever, Pharmaceutical Sciences, University of British Columbia|Hairui Chemical|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|Lan Pharmatech|LeadScope|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Milwaukee Institute for Drug Discovery|MLSMR|MolCore|Molepedia|MolPort|MP Biomedicals|MTDP|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Synthesis|NCBI Structure|NextBio|NIAID ChemDB|NINDS Approved Drug Screening Program|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|NovoSeek|OChem|ORST SMALL MOLECULE SCREENING CENTER|Paczesny and Yang Labs, IUPUI and University of Michigan|PATENTSCOPE (WIPO)|PDSP|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Prous Science Drugs of the Future|PubChem Reference Collection|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|SLING Consortium|Small Molecule Screening Facility, UW Madison|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|SureChEMBL|TargetMol|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thermo Fisher Scientific|Thieme Chemistry|Thomson Pharma|Tocris Bioscience|Tox21|ToxPlanet|UCLA Molecular Screening Shared Resource|UCSC Chemical Screening Center|University of Iowa High-Throughput Screening Core (UIHTS)|University of Kansas High Throughput Screening Laboratory|University of Pittsburgh Molecular Library Screening Center|WashU High Throughput Screening Center|Wikidata|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC|Zoeller Lab, School of Medicine, Boston University
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D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents|D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists|C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent|D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents|D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents|N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AG - Diphenylbutylpiperidine derivatives|D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
5336
Sulfapyridine
sulfapyridine|144-83-2|Sulphapyridine|2-Sulfapyridine|2-Sulfanilamidopyridine|Sulfidin|Sulfidine|Streptosilpyridine|2-Sulfanilylaminopyridine|Coccoclase|Eubasinum|Haptocil|Piridazol|Plurazol|Pyridazol|Dagenan|Eubasin|Relbapiridina|Septipulmon|Thioseptal|Adiplon|Pyriamid|Trianon|Ronin|2-Sulfanilamidopyridin|Solfapiridina|Sulfapiridina|Sulfapyridinum|N-2-Pyridylsulfanilamide|N1-2-Pyridylsulfanilamide|4-amino-N-pyridin-2-ylbenzenesulfonamide|4-amino-N-(pyridin-2-yl)benzenesulfonamide|N(sup 1)-2-Pyridylsulfanilamide|2-(p-Aminobenzenesulphonamido)pyridine|4-amino-N-pyridin-2-yl-benzenesulfonamide|Benzenesulfonamide, 4-amino-N-2-pyridinyl-|2-Sulfanilyl aminopyridine|4-(2-Pyridinylsulfonyl)aniline|2-(4-Aminobenzenesulfonamido)pyridine|N(1)-Pyridylsulfanilamide|4-[(2-Pyridylamino)sulfonyl]aniline|M+B 693|N(sup1)-Pyridylsulfanilamide|N(1)-2-Pyridylsulfanilamide|Sulfanilamide, N1-2-pyridyl-|A-499|M&B 693|4-Amino-N,2-pyridinylbenzenesulfonamide|M and B 693|Sulfapyridinum [INN-Latin]|NSC 4753|Sulfapiridina [INN-Spanish]|M + B 693|NSC 41791|Sulfanilamide, N(sup 1)-2-pyridyl-|4-amino-N-(pyridin-2-yl)benzene-1-sulfonamide|CHEBI:132842|UNII-Y5V2N1KE8U|NSC-4753|EINECS 205-642-7|Y5V2N1KE8U|NSC-41791|4-AMINO-N-2-PYRIDINYLBENZENESULFONAMIDE|Sulfapyridine-13C6|DTXSID3026067|4-amino-n-(2-pyridinyl)benzenesulfonamide|AI3-01049|MLS000069725|DTXCID206067|Sulfapyridine [USP:INN:BAN]|Sulphapyridin|A 499|NSC4753|EC 205-642-7|NCGC00016408-01|Sulfanilamide, N1-2(1H)-pyridylidene-|CAS-144-83-2|SMR000058213|SULFAPYRIDINE MELTING POINT STANDARD|Solfapiridina [DCIT]|Sulfapyridinum (INN-Latin)|Sulfapiridina (INN-Spanish)|WLN: T6NJ BMSWR DZ|4-amino-N-(2-pyridyl)benzenesulfonamide|SULFAPYRIDINE (MART.)|SULFAPYRIDINE [MART.]|SULFAPYRIDINE (USP-RS)|SULFAPYRIDINE [USP-RS]|Sulfapyridine (USP:INN:BAN)|2-Sulfanilamidopyridin [German]|SULFAPYRIDINE (USP IMPURITY)|SULFAPYRIDINE [USP IMPURITY]|4-((2-Pyridylamino)sulfonyl)aniline|SULFAPYRIDINE (USP MONOGRAPH)|SULFAPYRIDINE [USP MONOGRAPH]|Sulfapyridine (TN)|4-Amino-n-2-pyridinyl-benzenesulfonamide|SULFASALAZINE IMPURITY J (EP IMPURITY)|SULFASALAZINE IMPURITY J [EP IMPURITY]|SR-01000000207|N'-2-Pyridylsulfanilide|Sulfapyridine (USP/INN)|ulfapyridine|Sulfapyridin|sulfapyridine III|SFY|Prestwick_1015|Spectrum_000996|Sulfapyridine (Dagenan)|Prestwick0_000762|Prestwick1_000762|Prestwick2_000762|Prestwick3_000762|Spectrum2_001323|Spectrum3_001773|Spectrum4_000346|Spectrum5_001182|SULFAPYRIDINE [MI]|CHEMBL700|Epitope ID:122235|Benzenesulfonamide, 4-amino-N-(2-pyridinyl)-|SULFAPYRIDINE [INN]|cid_5336|Sulfapyridine, >=99.0%|Oprea1_344996|SCHEMBL44219|BSPBio_000804|BSPBio_003265|KBioGR_000751|KBioSS_001476|AO-801/41077453|DivK1c_000216|SPECTRUM1500551|SPBio_001445|SPBio_002743|SULFAPYRIDINE [WHO-DD]|BPBio1_000886|BDBM39340|GECHUMIMRBOMGK-UHFFFAOYSA-|GTPL12698|HMS500K18|KBio1_000216|KBio2_001476|KBio2_004044|KBio2_006612|KBio3_002766|J01EB04|NINDS_000216|4-(2-Pyridinylsulfonyl)aniline #|HMS1570I06|HMS1921C03|HMS2092K05|HMS2097I06|HMS2233H20|HMS3372N13|HMS3714I06|Pharmakon1600-01500551|SULFAPYRIDINE [ORANGE BOOK]|HY-B0212|NSC41791|Tox21_110426|CCG-39261|M&B693|MFCD00038036|NSC757329|s1617|STK292439|2-(p-Aminobenzenesulfonamido)pyridine|AKOS000121424|Tox21_110426_1|CS-2157|DB00891|HS-0063|M&B-693|NSC-757329|IDI1_000216|UPCMLD0ENAT5889155:001|NCGC00016408-02|NCGC00016408-03|NCGC00016408-04|NCGC00016408-05|NCGC00016408-06|NCGC00016408-09|NCGC00016408-10|NCGC00022008-03|NCGC00022008-04|AC-26818|SBI-0051525.P003|4-azanyl-N-pyridin-2-yl-benzenesulfonamide|DB-042750|N1-2(1H)-PYRIDYLIDENESULFANILAMIDE|AB00052100|NS00000225|EN300-21145|Sulfapyridine 1000 microg/mL in Acetonitrile|D02434|AB00052100_14|AB00052100_15|A808279|Sulfapyridine, VETRANAL(TM), analytical standard|Q3976827|SR-01000000207-2|SR-01000000207-3|W-108148|BRD-K41406082-001-05-5|BRD-K41406082-001-09-7|Z104492884|4-amino-N-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide|Sulfapyridine, European Pharmacopoeia (EP) Reference Standard|4-Amino-N-(pyrimidin-2-yl) benzenesulfonamide (Sulfadiazine) (14)|Sulfapyridine, United States Pharmacopeia (USP) Reference Standard|Sulfapyridine Melting Point Standard, United States Pharmacopeia (USP) Reference Standard|InChI=1/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)|Sulfapyridine melting point standard, Pharmaceutical Secondary Standard; Certified Reference Material
249.290
C11H11N3O2S
93.500
331.000
0.000
17
2
5
3
InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N
C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N
GECHUMIMRBOMGK-UHFFFAOYSA-N
4-amino-N-pyridin-2-ylbenzenesulfonamide
249.057
249.057
0
1
0
0
0
0
0
0
0
2634
9046
2803
2D+3D
Sulfapyridine
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
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32|720533|720542|720543|720551|720552|720553|720579|720580|720582|720596|720634|720635|720637|720641|720647|720648|720674|720675|720678|720679|720680|720681|720682|720683|720684|720685|720686|720687|720691|720692|720693|720700|720702|720704|720707|720708|720709|720711|720717|720719|720725|743012|743014|743015|743033|743035|743036|743040|743041|743042|743053|743054|743063|743064|743065|743066|743067|743069|743074|743075|743077|743078|743079|743080|743081|743083|743084|743085|743086|743091|743094|743122|743126|743139|743140|743191|743194|743199|743202|743203|743209|743210|743211|743212|743213|743215|743217|743218|743219|743220|743221|743222|743223|743224|743225|743226|743227|743228|743238|743239|743240|743241|743242|743244|743247|743255|743266|743269|743279|743287|743344|743345|743346|743347|743397|743398|750773|750776|750777|750780|750781|750784|750785|750788|750789|750792|977599|977602|1053175|1053197|1079931|1079932|1079933|1079934|1079935|1079936|1079937|1079938|1079939|1079940|1079941|1079942|1079943|1079944|1079945|1079946|1079947|1079948|1079949|1117298|1117304|1117305|1117310|1117312|1117314|1117326|1117329|1117336|1117340|1117341|1117342|1117343|1117346|1159387|1159394|1159509|1159515|1159516|1159517|1159518|1159519|1159520|1159521|1159523|1159524|1159525|1159526|1159527|1159528|1159529|1159531|1159550|1159551|1159552|1159553|1159555|1159580|1159583|1159606|1159607|1159614|1211099|1211100|1211101|1211102|1211103|1211104|1211105|1211106|1211107|1211108|1211121|1211122|1211123|1211124|1211125|1211126|1211127|1211128|1211129|1211130|1211131|1211132|1211133|1211134|1211135|1211136|1211137|1211138|1211139|1211140|1224824|1224825|1224834|1224835|1224836|1224837|1224838|1224839|1224840|1224841|1224842|1224843|1224844|1224845|1224846|1224847|1224848|1224849|1224857|1224859|1224863|1224865|1224867|1224868|1224869|1224870|1224871|1224872|1224873|1224874|1224875|1224876|1224877|1224878|1224879|1224880|1224881|1224882|1224883|1224884|1224885|1224886|1224887|1224888|1224889|1224890|1224892|1224893|1224894|1224895|1224896|1259241|1259242|1259243|1259244|1259247|1259248|1259251|1259252|1259253|1259255|1259256|1259309|1259310|1259311|1259313|1259318|1259344|1259355|1259356|1259364|1259365|1259366|1259367|1259368|1259369|1259374|1259377|1259378|1259379|1259380|1259381|1259382|1259383|1259384|1259385|1259386|1259387|1259388|1259389|1259390|1259391|1259392|1259393|1259394|1259395|1259396|1259397|1259398|1259399|1259400|1259401|1259402|1259403|1259404|1259415|1259416|1259421|1259422|1259423|1272365|1296008|1296009|1345084|1345086|1345199|1346200|1346378|1346428|1346784|1346795|1346798|1346799|1346824|1346829|1346859|1346877|1346891|1346924|1346977|1346978|1346979|1346980|1346981|1346982|1346983|1346984|1346985|1346986|1346987|1347030|1347031|1347032|1347033|1347034|1347035|1347036|1347037|1347038|1347041|1347053|1347055|1347056|1347061|1347062|1347063|1347066|1347071|1347074|1347075|1347076|1347080|1347082|1347083|1347085|1347086|1347089|1347090|1347091|1347092|1347093|1347094|1347095|1347096|1347097|1347098|1347099|1347100|1347101|1347102|1347103|1347104|1347105|1347106|1347107|1347108|1347120|1347131|1347154|1347395|1347397|1347398|1347399|1347407|1347424|1347425|1376808|1409594|1409598|1409605|1479145|1479147|1479149|1479150|1508586|1508601|1508602|1508614|1508616|1508620|1508623|1508624|1508626|1508630|1530048|1640020|1645758|1645839|1645840|1645841|1645842|1645845|1645846|1645851|1645870|1645876|1645877|1645882|1645883|1645886|1645887|1671188|1671190|1671193|1671194|1671196|1671197|1671198|1671199|1671200|1671201|1671463|1671498|1745845|1745856|1745857|1794731|1794732|1794733|1794735|1794736|1794738|1794739|1794740|1794742|1794745|1794746|1794748|1794750|1794751|1794752|1794753|1794754|1794755|1794756|1794757|1794758|1794759|1794760|1794761|1794763|1794764|1794765|1794766|1794767|1794768|1794769|1794771|1794772|1794773|1794774|1794775|1794776|1794777|1794778|1794779|1794780|1794781|1794782|1794783|1794784|1794785|1794786|1794787|1794788|1794789|1794790|1794792|1794793|1794794|1794795|1794796|1794798|1794799|1794800|1803136|1803142|1845191|1845192|1918969|1918990|1919968|1919969|1919970|1920062|1920063|1920064|1920065|1920067|1920068
20050325
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Product List|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alinda Chemical|Allbio Pharm Co., Ltd|Amadis Chemical|Ambeed|Ambinter|AmicBase - Antimicrobial Activities|AN PharmaTech|Angene Chemical|Anward|ApexBio Technology|Ark Pharm, Inc.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|BenchChem|BindingDB|BioCrick|Biosynth|BLD Pharm|BOC Sciences|Boerchem|Broad Institute|Burnham Center for Chemical Genomics|CCSbase|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemDB|ChemDiv|Chemenu Inc.|chemical genetic matrix|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|Chen Lab, School of Medicine, Emory University|CHIRALEN|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|Crystallography Open Database (COD)|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|Debye Scientific Co., Ltd|DiscoveryGate|DrugBank|DrugCentral|DTP/NCI|EDASA Scientific|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Emory University Molecular Libraries Screening Center|Enamine|eNovation Chemicals|enviPath|EPA DSSTox|EPA Substance Registry Services|EvitaChem|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fisher Drug Discovery Resource Center|Fredberg Lab, Harvard T.H. Chan School of Public Health|Glentham Life Sciences Ltd.|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Hairui Chemical|Hangzhou APIChem Technology|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|Immune Epitope Database (IEDB)|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Jamson Pharmachem Technology|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|LeadScope|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|MLSMR|MolCore|Molecule Market|MolPort|MP Biomedicals|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIH/NCATS RNAi|NINDS Approved Drug Screening Program|NIST Chemistry WebBook|NIST Mass Spectrometry Data Center|NMRShiftDB|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|ORST SMALL MOLECULE SCREENING CENTER|OtavaChemicals|PATENTSCOPE (WIPO)|PDSP|Phion Ltd|Pi Chemicals|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|PubChem Reference Collection|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|Sinfoo Biotech|Small Molecule Screening Facility, UW Madison|Smolecule|Southern Research Institute|Specs|Springer Nature|SpringerMaterials|Starshine Chemical|SureChEMBL|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thermo Fisher Scientific|Thieme Chemistry|Thomson Pharma|TimTec|Tox21|ToxPlanet|Tractus|UCLA Molecular Screening Shared Resource|University of Iowa High-Throughput Screening Core (UIHTS)|University of Kansas High Throughput Screening Laboratory|UPCMLD|Vesino Industrial Co., Ltd|Vitas-M Laboratory|VladaChem|Wikidata|Wiley|Wubei-Biochem|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides|J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides|C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent|D003879 - Dermatologic Agents|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from PDB, Protein Data Bank
208902
Ramelteon
Ramelteon|196597-26-9|Rozerem|TAK-375|(S)-N-[2-(1,6,7,8-tetrahydro-2H-indeno-[5,4-b]furan-8-yl)ethyl]propionamide|TAK375|(S)-N-(2-(1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethyl)propionamide|UNII-901AS54I69|HSDB 7787|901AS54I69|CHEMBL1218|DTXSID6045951|Ramelteon [USAN]|RAMELTEON (MART.)|RAMELTEON [MART.]|Propanamide, N-(2-((8S)-1,6,7,8-tetrahydro-2H-indeno(5,4-b)furan-8-yl)ethyl)-|N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide|N-{2-[(8S)-1H,2H,6H,7H,8H-INDENO[5,4-B]FURAN-8-YL]ETHYL}PROPANAMIDE|SMR002544684|Rozerem (TN)|SR-05000001957|DTXCID4025951|ramelteonum|Ramelteon (JAN/USAN/INN)|(S)-N-(2-(1,6,7,8-tetrahydro-2H-indeno-(5,4)furan-8-yl)ethyl)propionamide|(S)-N-(2-[1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl)propionamide|(S)-N-[2-(1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethyl]propionamide|N-(2-((8S)-1,6,7,8-Tetrahydro-2H-indeno(5,4-b)furan-8-yl)ethyl)propanamide|Ramelteon [USAN:INN:BAN:JAN]|JEV|RAMELTEON [INN]|RAMELTEON [JAN]|RAMELTEON [HSDB]|RAMELTEON [VANDF]|Ramelteon (TAK-375)|RAMELTEON [WHO-DD]|(-)-N-(2-(((8S)-1,6,7,8-Tetrahydro-2H-indeno(5,4-b)furan-8-yl)ethyl)propanamide|SCHEMBL29237|BSPBio_002318|MLS003915619|MLS006010029|TAK-375SL|SPECTRUM1505817|GTPL1356|RAMELTEON [ORANGE BOOK]|N05CH02|CHEBI:109549|YLXDSYKOBKBWJQ-LBPRGKRZSA-N|HMS1922H18|HMS2093F12|HMS3884K07|HY-A0014|BDBM50118470|MFCD08067736|s1259|Ramelteon 1.0 mg/ml in Acetonitrile|AKOS015895741|AC-5275|AM84670|CCG-213557|CS-0382|DB00980|N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e]benzofuran-8-yl]ethyl]propanamide|NCGC00095187-08|NCGC00095187-09|NCGC00178707-03|NCGC00178707-05|AS-15740|SBI-0206874.P001|NS00069667|R0216|SW219712-1|D02689|EN300-219936|AB01274760-01|AB01274760_02|AB01274760_03|Q417689|J-502508|SR-05000001957-1|SR-05000001957-3|BRD-K28761891-001-01-0|BRD-K28761891-001-04-4|Z2037281108|1-BOC-2-[(4-FLUORO-PHENYLAMINO)-METHYL]-PIPERIDINE|N-[2-(1,6,7,8-Tetrahydro-2H-3-oxa-as-indacen-8-yl)-ethyl]-propionamide(S)-(-)-22b|N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzoxol-8-yl]ethyl]propanamide|PROPANAMIDE, N-(2-((8S)-1,6,7,8-TETRAHYDRO-2H-INDENO(5,4-beta)FURAN-8-YL)ETHYL)-|(-)-N-(2-(((8S)-1,6,7,8-TETRAHYDRO-2H-INDENO(5,4-.BETA.)FURAN-8-YL)ETHYL)PROPANAMIDE|(-)-N-(2-(((8S)-1,6,7,8-TETRAHYDRO-2H-INDENO(5,4-beta)FURAN-8-YL)ETHYL)PROPANAMIDE|PROPANAMIDE, N-(2-((8S)-1,6,7,8-TETRAHYDRO-2H-INDENO(5,4-.BETA.)FURAN-8-YL)ETHYL)-
259.339
C16H21NO2
38.300
331.000
2.700
19
1
2
4
InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1
CCC(=O)NCC[C@@H]1CCC2=C1C3=C(C=C2)OCC3
CCC(=O)NCCC1CCC2=C1C3=C(C=C2)OCC3
YLXDSYKOBKBWJQ-LBPRGKRZSA-N
N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
259.157
259.157
0
1
0
1
1
0
0
0
0
1100
5748
1162
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
940|1422|2240|2241|2275|2313|2322|2330|107723|107729|108025|108057|179962|232612|434959|485350|493033|504770|540299|567992|567993|567994|567995|567996|567997|568000|568001|568002|568003|568004|588519|602314|624137|624156|624260|624349|651548|651821|651957|651958|652010|652017|652039|652067|652126|652257|686940|686964|687014|687016|720508|720509|720543|720582|720596|720641|720648|720700|720702|720704|720717|743126|743269|743344|743345|743346|743347|743445|977599|977602|1053197|1117264|1138157|1159387|1159550|1159580|1224824|1224825|1224857|1224859|1224863|1259251|1259252|1259253|1259255|1259256|1259310|1259318|1259374|1259397|1259398|1259416|1259421|1259422|1259423|1296008|1296009|1346200|1346220|1346274|1346378|1346986|1346987|1347053|1347055|1347060|1347061|1347062|1347063|1347064|1347065|1347066|1347067|1347068|1347080|1347082|1347083|1347085|1347086|1347089|1347090|1347091|1347092|1347093|1347094|1347095|1347096|1347097|1347098|1347099|1347100|1347101|1347102|1347103|1347104|1347105|1347106|1347107|1347108|1347120|1347154|1347411|1409598|1409605|1449628|1473738|1473739|1473740|1473741|1474166|1474167|1479145|1479147|1479149|1479150|1508601|1508602|1508614|1508620|1508623|1508624|1508626|1508630|1597726|1597740|1640020|1645758|1645845|1645846|1645870|1645876|1645877|1671188|1671190|1671193|1671194|1671463|1745845|1775389|1775390|1775391|1775392|1775393|1775394|1775395|1775396|1775397|1775663|1775664|1775666|1775667|1775668|1775670|1775672|1775674|1834516|1834517|1834518|1834519|1834520|1834521|1836591|1837520|1838449|1839378|1840307|1841236|1842165|1843094|1844023|1844952|1845191|1845192|1912612|1912615|1912618|1912621|1912624|1912627|1912630|1912633|1912636|1912639|1912642|1912645|1912646|1918969|1918990|1920062
20050809
001Chemical|10X CHEM|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|A2Z Chemical|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Ace Therapeutics|Acesobio|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Product List|ACT Chemical|Activate Scientific|Active Biopharma|Adooq BioScience|AEchem Scientific Corp., USA|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Allbio Pharm Co., Ltd|Ambeed|AN PharmaTech|Angene Chemical|AOBIOUS INC|ApexBio Technology|Apexmol|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|AvaChem Scientific|BenchChem|BindingDB|BioCrick|Biosynth|BLD Pharm|BOC Sciences|Boerchem|Broad Institute|Burnham Center for Chemical Genomics|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|Chemenu Inc.|ChemFaces|chemical genetic matrix|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|Chen Lab, School of Medicine, Emory University|Chiralblock Biosciences|Clinivex|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Crystallography Open Database (COD)|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|Elsa Biotechnology|eMolecules|Emory University Molecular Libraries Screening Center|Enamine|EPA DSSTox|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|Glentham Life Sciences Ltd.|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Hangzhou APIChem Technology|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|Lan Pharmatech|LeadScope|LGC Standards|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|MLSMR|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NCBI Structure|NextBio|NextMove Software|NIH/NCATS RNAi|NORMAN Suspect List Exchange|NovoSeek|OChem|Parchem|PATENTSCOPE (WIPO)|Pi Chemicals|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Prous Science Drugs of the Future|PubChem Reference Collection|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|SureChEMBL|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Tocris Bioscience|ToxPlanet|Tractus|TripleBond|Uchem Meditech|UCSC Chemical Screening Center|Wikidata|Wutech|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant|N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CH - Melatonin receptor agonists|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
5362129
Ramipril
ramipril|87333-19-5|Tritace|Altace|Ramace|Delix|Triatec|Cardace|Vesdil|Acovil|Carasel|Pramace|Lostapres|Hytren|Hoe-498|Ramiprilum|Ramiprilum [Latin]|Naprix|Ramipro|Unipril|HOE 498|Corpril|Ramipres|Ecator|Hopace|Quark|Altace (TN)|UNII-L35JN3I7SJ|L35JN3I7SJ|NSC-758933|CHEBI:8774|DTXSID8023551|C09AA05|MFCD00865775|CHEMBL1168|RAMIPRIL, (+)-|DTXCID203551|(2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid|HSDB 8393|Ramipril [USAN:USP:INN:BAN]|Ramipril-d3|Ramiprilum (Latin)|NSC 758933|(2S,3aS,6aS)-1-((S)-2-(((S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)octahydrocyclopenta[b]pyrrole-2-carboxylic acid|(2S,3aS,6aS)-1-((S)-N-((S)-1-Carboxy-3-phenylpropyl)alanyl)octahydrocyclopenta(b)pyrrole-2-carboxylic acid, 1-ethyl ester|(2S,3aS,6aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-octahydrocyclopenta[b]pyrrole-2-carboxylic acid|RAMIPRIL (MART.)|RAMIPRIL [MART.]|RAMIPRIL (USP-RS)|RAMIPRIL [USP-RS]|(2S,3aS,6aS)-1-(((S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)-L-alanyl)octahydrocyclopenta[b]pyrrole-2-carboxylic acid|(2S,3As,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azaniumyl]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate|(2S-(1(R*(R*)),2alpha,3abeta,6abeta))-1-(2-((1-(Ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)octahydrocyclopenta(b)pyrrole-2-carboxylic acid|RAMIPRIL (EP MONOGRAPH)|RAMIPRIL [EP MONOGRAPH]|RAMIPRIL (USP MONOGRAPH)|RAMIPRIL [USP MONOGRAPH]|Ramipril (USAN:USP:INN:BAN)|HOE498|Ramipril (Altace)|(2S,3aS,6aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid (non-preferred name)|Cyclopenta[b]pyrrole-2-carboxylic acid, 1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-, (2S,3aS,6aS)-|SMR000466386|Ramipril (USP/INN)|SR-05000001908|NCGC00016955-01|(2S,3aS,6aS)-1-[(S)-N-[(S)-1-Carboxy-3-phenylpropyl]alanyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid, 1-ethyl ester|CYCLOPENTA(B)PYRROLE-2-CARBOXYLIC ACID, 1-((2S)-2-(((1S)-1-(ETHOXYCARBONYL)-3-PHENYLPROPYL)AMINO)-1-OXOPROPYL)OCTAHYDRO-, (2S,3AS,6AS)-|CAS-87333-19-5|(2S,3aS,6aS)-1-((S)-N-((S)-1-Ethoxycarbonyl-3-phenylpropyl)alanyl)octahydrocyclopenta(b)pyrrol-2-carbonsaeure|Spectrum_001958|RAMIPRIL [USAN]|RAMIPRIL [INN]|RAMIPRIL [JAN]|RAMIPRIL [MI]|RAMIPRIL [VANDF]|Spectrum3_001794|Spectrum4_001269|Spectrum5_001721|RAMIPRIL [WHO-DD]|SCHEMBL16059|BSPBio_003347|KBioGR_001858|KBioSS_002512|(2S,3aS,6aS)-1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-cyclopenta[b]pyrrole-2-carboxylic acid|Cyclopenta(b)pyrrole-2-carboxylic acid, 1-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)octahydro-, (2S-(1(R*(R*)),2alpha,3abeta,6abeta))-|MLS000759523|MLS001216547|MLS001423965|N-(1S-carboethoxy-3-phenylpropyl)-S-alanyl-cis,endo-2-azabicyclo[3.3.0]octane-3S-carboxylic Acid|BIDD:GT0803|SPECTRUM1505214|RAMIPRIL [ORANGE BOOK]|GTPL6339|Ramipril, >=98% (HPLC)|KBio2_002504|KBio2_005072|KBio2_007640|KBio3_002849|NPD2431|HMS2051E04|HMS2090L11|HMS2093M10|HMS2231M05|HMS3259J07|HMS3715M16|Pharmakon1600-01505214|CYCLOPENTA(B)PYRROLE-2-CARBOXYLIC ACID, 1-(2-((1-(ETHOXYCARBONYL)-3-PHENYLPROPYL)AMINO)-1-OXOPROPYL)OCTAHYDRO-, (2S-(1(R*(R*)),2.ALPHA.,3A.BETA.,6A.BETA.))-|HY-B0279|Ramipril (1.0 mg/mL in Methanol)|Tox21_110708|BBL033964|BDBM50084681|NSC758933|s1793|STK801937|AKOS005622534|Tox21_110708_1|AC-1347|CCG-100833|DB00178|KS-1103|NC00083|NC00627|NCGC00178127-01|NCGC00178127-02|(2S,3aS,6aS)-1-((S)-2-((S)-1-ethoxy-1-oxo-4-phenylbutan-2-ylamino)propanoyl) octahydrocyclopenta[b]pyrrole-2-carboxylic acid|(2S,3aS,6aS)-1-[(2S)-2-{[(1S)-1-ethoxycarbonyl-3-phenylpropyl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid|[2S,3aS,6aS]-1-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid|BR164319|SBI-0206728.P001|NS00004700|R0219|D00421|EN300-118695|AB00698339-07|AB00698339-08|AB00698339_09|AB00698339_10|Q412666|SR-05000001908-1|SR-05000001908-2|Ramipril, British Pharmacopoeia (BP) Reference Standard|Ramipril, European Pharmacopoeia (EP) Reference Standard|Z1515381509|Ramipril, United States Pharmacopeia (USP) Reference Standard|Ramipril, Pharmaceutical Secondary Standard; Certified Reference Material|(2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[d]pyrrole-2-carboxylic acid|1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-octahydro-cyclopenta[b]pyrrole-2-carboxylic acid(Ramipril)|1-[2-(1-ethoxycarbonyl-3-phenylpropylamino)propionyl]octahydrocyclopenta[b]- pyrrole-2-carboxylic acid|1028843-43-7
416.500
C23H32N2O5
95.900
619.000
1.400
30
2
6
10
InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O
CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCC3CC2C(=O)O
HDACQVRGBOVJII-JBDAPHQKSA-N
(2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
416.231
416.231
0
1
0
5
5
0
0
0
0
9770
50274
10155
2D+3D
Ramipril
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
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20050808
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4740
Pentoxifylline
pentoxifylline|Trental|6493-05-6|Oxpentifylline|Pentoxifyllin|Pentoxyphylline|Torental|Pentoxiphyllium|Vazofirin|Dimethyloxohexylxanthine|3,7-Dimethyl-1-(5-oxohexyl)xanthine|Pentoxiphyllin|Pentoxiphylline|Pentoxyfylline|1-(5-Oxohexyl)theobromine|Rentylin|1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(5-oxohexyl)-|3,7-Dihydro-3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6-dione|BL 191|BL-191|Oxypentifylline|Pentoxifilina|Pentoxifyllinum|Pentoxyfilline|Pentoxyphyllin|3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione|3,7-Dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione|1-(5-Oxohexyl)-3,7-dimethylxanthine|SD6QCT3TSU|Theobromine, 1-(5-oxohexyl)-|NSC637086|Pentoxifilina [INN-Spanish]|Pentoxifyllinum [INN-Latin]|3,7-Dimethyl-1-(5-oxohexyl)xantine|NSC 637086|NSC-637086|NSC-758481|3,7-Dimethyl-1-(5-oxohexyl) xantine|3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6(3H,7H)-dione|CCRIS 6832|DTXSID7023437|C04AD03|3,7-dimethyl-1-(5-oxohexyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione|3,7-Dimethyl-1-(5-oxohexyl)-1H,3H-purin-2,6-dione|UNII-SD6QCT3TSU|EHT 0202|EINECS 229-374-5|MFCD00063379|CHEMBL628|1,2,3,6-Tetrahydro-3,7-dimethyl-1-(5-oxohexyl)-2,6-purindion|BRN 0558929|MLS000079026|CHEBI:7986|DTXCID803437|Azupentat|NCGC00015801-02|Durapental|SMR000035998|Pentoxifilina (INN-Spanish)|Pentoxifyllinum (INN-Latin)|5-26-14-00081 (Beilstein Handbook Reference)|PNX|PENTOXIFYLLINE (MART.)|PENTOXIFYLLINE [MART.]|PENTOXIFYLLINE (USP-RS)|PENTOXIFYLLINE [USP-RS]|Hemovas|Ralofect|Vasofirin|Ikomio|Agapurin Retard|PENTOXIFYLLINE (EP MONOGRAPH)|PENTOXIFYLLINE [EP MONOGRAPH]|PENTOXIFYLLINE (USP MONOGRAPH)|PENTOXIFYLLINE [USP MONOGRAPH]|Pentoxil (TN)|Pentoxifylline (USAN:USP:INN:BAN:JAN)|Pentoxifylline [USAN:USP:INN:BAN:JAN]|Trental (TN)|CAS-6493-05-6|EHT0201|SR-01000075641|pentoxifillina|Pentoxyifylline|Pentopak|Pentoxifylline (JAN/USP/INN)|3arr|3aru|3tvx|EHT-201|PTX;Oxpentifylline|EHT-0201|Prestwick_608|Pentoxifylline,(S)|Spectrum_001444|2a3c|Opera_ID_1800|Prestwick0_000196|Prestwick1_000196|Prestwick2_000196|Prestwick3_000196|Spectrum2_001181|Spectrum3_001820|Spectrum4_000227|Spectrum5_001161|Lopac-P-1784|P 1784|PENTOXIFYLLINE [MI]|PENTOXIFYLLINE [INN]|PENTOXIFYLLINE [JAN]|Lopac0_000936|SCHEMBL34039|BSPBio_000151|BSPBio_003439|KBioGR_000893|KBioSS_001924|PENTOXIFYLLINE [USAN]|MLS000758298|MLS001201764|MLS001424051|BIDD:GT0174|DivK1c_000729|PENTOXIFYLLINE [VANDF]|SPECTRUM1503611|SPBio_001221|SPBio_002072|BPBio1_000167|GTPL7095|1-(3-Carboxypropyl)-3,7-|PENTOXIFYLLINE [WHO-DD]|BDBM10850|HMS502E11|KBio1_000729|KBio2_001924|KBio2_004492|KBio2_007060|KBio3_002942|NINDS_000729|HMS1568H13|HMS1922E16|HMS2051N06|HMS2090H13|HMS2093G21|HMS2095H13|HMS2235C16|HMS3262L14|HMS3370D09|HMS3393N06|HMS3712H13|Pharmakon1600-01503611|BCP29306|HY-B0715|PENTOXIFYLLINE [ORANGE BOOK]|Tox21_110223|Tox21_500936|BBL016497|CCG-36382|NSC758481|PDSP1_001015|PDSP2_000999|STK177321|AKOS000541484|Tox21_110223_1|AC-8381|DB00806|LP00936|NC00255|SDCCGSBI-0050910.P004|3,7-dimethyl-1-(5-oxohexyl)-xanthine|CAS-1677687|IDI1_000729|NCGC00015801-01|NCGC00015801-03|NCGC00015801-04|NCGC00015801-05|NCGC00015801-06|NCGC00015801-07|NCGC00015801-08|NCGC00015801-09|NCGC00015801-10|NCGC00015801-12|NCGC00015801-17|NCGC00015801-21|NCGC00067069-02|NCGC00067069-03|NCGC00067069-04|NCGC00067069-05|NCGC00178062-01|NCGC00178062-02|NCGC00261621-01|AS-13662|SBI-0050910.P003|1-(5-oxohexyl)theobromine (pentoxifylline)|AB00052363|EU-0100936|NS00010010|P2050|S4345|SW196777-4|C07424|D00501|D70138|AB00052363-17|AB00052363_18|AB00052363_21|EN300-18527828|Q416331|3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6-dione|PTX; Oxpentifylline; BL191; BL 191; BL-191|SR-01000075641-1|SR-01000075641-4|SR-01000075641-7|SR-01000075641-9|BRD-K57569181-001-05-1|BRD-K57569181-001-16-8|Z1741982628|3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydropurine-2,6-dione|3,7-Dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione #
278.310
C13H18N4O3
75.500
426.000
0.300
20
0
4
5
InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3
CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C
CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C
BYPFEZZEUUWMEJ-UHFFFAOYSA-N
3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione
278.138
278.138
0
1
0
0
0
0
0
0
0
10239
33516
8100
2D+3D
Pentoxifylline
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
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3870|623877|623901|624030|624031|624032|624037|624038|624040|624044|624125|624126|624127|624146|624147|624148|624149|624156|624168|624169|624170|624171|624172|624173|624178|624202|624204|624246|624256|624263|624267|624268|624288|624296|624297|624304|624330|624349|624352|624354|624377|624414|624415|624416|624417|624418|624455|624463|624464|624465|624466|624467|624483|625144|625145|625146|625147|625148|625149|625150|625151|625152|625153|625154|625155|625156|625157|625158|625159|625160|625161|625162|625163|625164|625165|625166|625167|625168|625169|625170|625171|625172|625173|625174|625175|625176|625177|625178|625179|625180|625181|625182|625183|625184|625185|625186|625187|625188|625189|625190|625191|625192|625193|625194|625195|625196|625197|625198|625199|625200|625201|625202|625203|625204|625205|625206|625207|625208|625209|625210|625211|625212|625213|625214|625215|625216|625217|625218|625219|625220|625221|625222|625223|625224|625225|625226|625227|625228|625229|625230|625231|625232|625233|625234|625235|625236|625237|625238|625239|625240|625241|625242|625243|625244|625245|625246|625247|625248|625249|625250|625251|625252|625253|625254|625255|625256|625257|625258|625259|625260|625261|625262|625263|625264|625265|625266|625267|625268|625269|625270|625271|625272|625273|625274|625275|625279|625280|625281|625282|625283|625284|625285|625286|625287|625288|625289|625290|625291|625292|651550|651560|651572|651582|651602|651631|651632|651633|651634|651635|651636|651640|651644|651647|651654|651658|651660|651661|651687|651699|651702|651704|651710|651711|651718|651723|651724|651725|651768|651800|651819|651820|651821|651828|651957|651958|651965|651999|652010|652017|652025|652031|652039|652048|652051|652054|652067|652104|652105|652106|652115|652126|652154|652162|652163|652197|652257|686940|686964|686970|686971|686977|686978|686979|686992|686996|687014|687016|687035|687037|720504|720508|720509|720511|720516|720532|720533|720538|720542|720543|720551|720552|720553|720554|720559|720572|720573|720579|720580|720582|720596|720634|720635|720637|720641|720648|720674|720675|720678|720679|720680|720681|720682|720683|720684|720685|720686|720687|720691|720692|720693|720700|720702|720704|720707|720708|720709|720711|720717|720719|720725|743012|743014|743015|743033|743035|743036|743040|743041|743042|743053|743054|743063|743064|743065|743066|743067|743069|743074|743075|743077|743078|743079|743080|743081|743083|743084|743085|743086|743091|743094|743122|743126|743139|743140|743191|743194|743199|743202|743203|743205|743206|743207|743209|743210|743211|743212|743213|743215|743217|743218|743219|743220|743221|743222|743223|743224|743225|743226|743227|743228|743238|743239|743240|743241|743242|743244|743247|743255|743266|743268|743269|743270|743271|743272|743279|743281|743397|743398|749316|749319|759421|759422|977599|977602|977610|977611|1053175|1053188|1053197|1079931|1079932|1079933|1079934|1079935|1079936|1079937|1079938|1079939|1079940|1079941|1079942|1079943|1079944|1079945|1079946|1079947|1079948|1079949|1117298|1117301|1117302|1117303|1117304|1117305|1117310|1117311|1117312|1117314|1117315|1117318|1117319|1117326|1117329|1117336|1117340|1117341|1117342|1117343|1117346|1159387|1159509|1159515|1159516|1159517|1159518|1159519|1159520|1159521|1159523|1159524|1159525|1159526|1159527|1159528|1159529|1159531|1159550|1159551|1159552|1159553|1159555|1159580|1159583|1159606|1159607|1159614|1224817|1224818|1224819|1224820|1224821|1224822|1224823|1224834|1224835|1224836|1224837|1224838|1224839|1224840|1224841|1224842|1224843|1224844|1224845|1224846|1224847|1224848|1224849|1224857|1224859|1224863|1224864|1224865|1224867|1224868|1224869|1224870|1224871|1224872|1224873|1224874|1224875|1224876|1224877|1224878|1224879|1224880|1224881|1224882|1224883|1224884|1224885|1224886|1224887|1224888|1224889|1224890|1224892|1224893|1224894|1224895|1224896|1224905|1259241|1259242|1259243|1259244|1259247|1259248|1259251|1259309|1259310|1259311|1259313|1259318|1259325|1259344|1259354|1259355|1259356|1259364|1259365|1259366|1259367|1259368|1259369|1259370|1259374|1259377|1259378|1259379|1259380|1259381|1259382|1259383|1259384|1259385|1259386|1259387|1259388|1259389|1259390|1259391|1259392|1259393|1259394|1259395|1259396|1259397|1259398|1259399|1259400|1259401|1259402|1259403|1259404|1259406|1259407|1259408|1259409|1259413|1259415|1259416|1259421|1259422|1259423|1272365|1296008|1296009|1314334|1325476|1325477|1325478|1325479|1325480|1325483|1325485|1325486|1325487|1325490|1342825|1345084|1345086|1345199|1345721|1346200|1346212|1346378|1346428|1346784|1346795|1346798|1346799|1346824|1346829|1346859|1346877|1346891|1346924|1346977|1346978|1346979|1346980|1346981|1346982|1346983|1346984|1346985|1346986|1346987|1347030|1347031|1347032|1347033|1347034|1347035|1347036|1347037|1347038|1347041|1347045|1347049|1347050|1347053|1347055|1347056|1347057|1347058|1347059|1347071|1347074|1347075|1347076|1347079|1347080|1347082|1347083|1347085|1347086|1347089|1347090|1347091|1347092|1347093|1347094|
20050325
10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Activate Scientific|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Ambeed|Ambinter|AN PharmaTech|ASINEX|AstaTech, Inc.|Aurum Pharmatech LLC|Axon Medchem|BenchChem|BIDD|BindingDB|BioChemPartner|BLD Pharm|BOC Sciences|Boone Lab, Chemical Genomics, University of Toronto|Broad Institute|Burnham Center for Chemical Genomics|C. David Weaver Laboratory, Vanderbilt University|Calbiochem|CCSbase|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemDB|ChemDiv|Chemenu Inc.|ChemExper Chemical Directory|Chemical Carcinogenesis Research Information System (CCRIS)|chemical genetic matrix|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemSpider|ChemTik|Chen Lab, School of Medicine, Emory University|Chung Lab, Department of Pediatrics, Emory University|Circadian Research, Kay Laboratory, University of California at San Diego (UCSD)|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Comparative Toxicogenomics Database (CTD)|Crystallography Open Database (COD)|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|DTP/NCI|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|EMD Millipore|eMolecules|Emory University Molecular Libraries Screening Center|Enamine|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fisher Drug Discovery Resource Center|Fredberg Lab, Harvard T.H. Chan School of Public Health|Genetic Toxicology Data Bank (GENE-TOX)|Glentham Life Sciences Ltd.|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Hangzhou APIChem Technology|HDH Pharma|Horrigan Lab, Baylor College of Medicine|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|Innovapharm|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|LabNetwork, a WuXi AppTec Company|labseeker|LeadScope|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Milwaukee Institute for Drug Discovery|MLSMR|Molecule Market|MolPort|MP Biomedicals|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIH Clinical Collection|NINDS Approved Drug Screening Program|NIST Chemistry WebBook|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|Novartis Institutes for BioMedical Research|NovoSeek|ORST SMALL MOLECULE SCREENING CENTER|Paczesny and Yang Labs, IUPUI and University of Michigan|PATENTSCOPE (WIPO)|PDSP|Petrascheck Lab, The Scripps Reserach Institute, Department of Molecular Medicine|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Prous Science Drugs of the Future|PubChem Reference Collection|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Shanghai Institute of Organic Chemistry|Sinfoo Biotech|Small Molecule Screening Facility, UW Madison|SMID|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|SureChEMBL|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thermo Fisher Scientific|Thieme Chemistry|Thomson Pharma|Thoreauchem|TimTec|Tocris Bioscience|Tox21|UCLA Molecular Screening Shared Resource|UCSC Chemical Screening Center|University of Iowa High-Throughput Screening Core (UIHTS)|University of Kansas High Throughput Screening Laboratory|University of Pittsburgh Molecular Library Screening Center|Vesino Industrial Co., Ltd|Vitas-M Laboratory|VWR, Part of Avantor|Wikidata|Wubei-Biochem|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC|Zoeller Lab, School of Medicine, Boston University
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D000975 - Antioxidants > D016166 - Free Radical Scavengers|D020011 - Protective Agents > D011837 - Radiation-Protective Agents|D020011 - Protective Agents > D000975 - Antioxidants|D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents|D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors|C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor|C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AD - Purine derivatives|C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent|D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
213039
Darunavir
Darunavir|206361-99-1|TMC114|TMC-114|Prezista|UIC-94017|TMC 114|Darunavirum|Darunavirum [INN-Latin]|Derunavir|(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate|(-)-DARUNAVIR|CHEMBL1323|(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE|DTXSID0046779|CHEBI:367163|MFCD09260006|TMC-41629|YO603Y8113|N-((1S,2R)-3-(((4-Aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-benzylpropyl)((1S,2R,5R)-4,6-dioxabicyclo(3.3.0)oct-2-yloxy)carboxamide|Darunavir [USAN]|NCGC00168773-01|(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate|(3R,3aS,6aR)-tetrahydro-2H-furo[2,3-b]furan-3-yl (2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate|(3R,3aS,6aR)-tetrahydro-2H-furo[2,3-b]furan-3-yl (2S,3R)-4-(4-amino-N-neopentylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate|[(S)-3-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-2-hydroxy-1-((R)-phenylmethyl)-propyl]-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester|{(1S,2R)-3-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester|Carbamic acid, [(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester|DRV|Prezista(TM)|Darunavir [INN]|UIC 94017|(3R,3aS,6aR)-Hexahydrofuro(2,3-b)furan-3-yl N-((1S,2R)-1-benzyl-2-hydroxy-3-(N1-isobutylsulfanilamido)propyl)carbamate|(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl (2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate|[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(1S,2R)-3-[(4-aminophenyl)sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]carbamate|AIDS073035|Darunavir (USAN/INN)|Darunavir [USAN:INN:BAN]|Prezista Naive|Darunavir?|UNII-YO603Y8113|HSDB 7788|2idw|2ien|3bvb|3cyw|3ekt|3ggu|3lzs|3lzu|3lzv|3ogp|3pwm|3qoz|3tkw|3ttp|4hla|Darunavir (DRV)|(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-((1S,2R)-1-benzyl-2-hydroxy-3-(N1-isobutylsulfanilamido)propyl)carbamate|TMC41629|TMC 41629|UIC-96017|2f8g|2hs1|2hs2|3d1z|3so9|3t3c|3u7s|4ll3|DARUNAVIR [MI]|DARUNAVIR [HSDB]|DARUNAVIR [VANDF]|DARUNAVIR [MART.]|DRV & AAG|DRV & HSA|DARUNAVIR [WHO-DD]|DARUNAVIR [EMA EPAR]|[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate|SCHEMBL118546|AMY373|BDBM8125|UIC-940T|DARUNAVIR [ORANGE BOOK]|Darunavir, >=98% (HPLC)|DTXCID8026779|GTPL11243|2f80|2f81|3d20|3s53|3s54|CJBJHOAVZSMMDJ-HEXNFIEUSA-N|HMS3715I13|(3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL ((2S,3R)-4-((4-AMINO-N-ISOBUTYLPHENYL)SULFONAMIDO)-3-HYDROXY-1-PHENYLBUTAN-2-YL)CARBAMATE|EX-A4009|Tox21_112634|Darunavir & alpha1-acid glycoprotein|MC-114|s5250|206361-99-1 (free)|AKOS015966592|BCP9000587|CCG-269991|CS-0749|DB01264|KS-1469|NCGC00388284-07|NCGC00388284-08|NCGC00388284-10|NCGC00388284-12|(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-((1S,2R)-1-benzyl-2-hydroxy-3-(N(1)-isobutylsulfanilamido)propyl)carbamate|AC-26778|HY-17040|BCP0726000058|CAS-206361-99-1|NS00000472|D03656|AB01565837_02|EN300-20600172|J-013483|Q3765251|Z2301684748|3-(4-AMINO-PHENOXY)-PYRROLIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER|((1S,2R)-3-(((4-Aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-carbamic acid (3R,3aS,6aR)-hexahydrofurano(2,3-b)furan-3-yl ester|((1S,2R)-3-(((4-AMINOPHENYL)SULFONYL)(2-METHYLPROPYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-CARBAMIC ACID (3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL ESTER|(3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL ((1S,2R)-3-(((4-AMINOPHENYL)SULFONYL)(ISOBUTYL)AMINO)-1-BENZYL-2-HYDROXYPROPYL)CARBAMATE|(3R,3aS,6aR)-Hexahydrofuro(2,3-b)furan-3-yl N-((1S,2R)-1-benzyl-2-hydroxy-3-(N(sup 1)-isobutylsulfanilamido)propyl)carbamate|(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)(4-aminobenzene)sulfonamido]-1-phenylbutan-2-yl]carbamate|(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)-4-aminobenzenesulfonamido]-1-phenylbutan-2-yl]carbamate|(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate|(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl((2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate|[(1S,2R)-3-[[(4-Aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenyl-methyl)propyl]carabamic acid (3R,3aS,6aR)-hexahydrofuro[2,3-b]-furan-3-yl ester|[(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate|Carbamic acid, ((1S,2R)-3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-, (3R,3aS,6aR)-hexahydrofurano(2,3-b)furan-3-yl ester
547.700
C27H37N3O7S
149.000
853.000
2.900
38
3
9
12
InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N
CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N
CJBJHOAVZSMMDJ-HEXNFIEUSA-N
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
547.235
547.235
0
1
0
5
5
0
0
0
0
3475
15861
3438
2D+3D
Darunavir
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
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|1479149|1479150|1482905|1482906|1482907|1482909|1482910|1482911|1482912|1482913|1482914|1482915|1482916|1482917|1482918|1482919|1482920|1482921|1482922|1482923|1482924|1482925|1482926|1482927|1491222|1504971|1504972|1508586|1508620|1508623|1508624|1508630|1516788|1516789|1516790|1516791|1516792|1516793|1516794|1516795|1516796|1520034|1520035|1520036|1520038|1520039|1520040|1525498|1544553|1575211|1585151|1589132|1589133|1594347|1594350|1604115|1604116|1604117|1604118|1604130|1604131|1607525|1607526|1607527|1607528|1607529|1607530|1607531|1607532|1607533|1627021|1627022|1627023|1627024|1633412|1633413|1645840|1645841|1645842|1645845|1645846|1645870|1645882|1645883|1645886|1645887|1657083|1658398|1658399|1658400|1658402|1658403|1658404|1665063|1665067|1665068|1665069|1669454|1669455|1669456|1669457|1671188|1671190|1671193|1671194|1687688|1687689|1704275|1725418|1725419|1725420|1725421|1725422|1725423|1745845|1745854|1745855|1767117|1767118|1767120|1767121|1778333|1778334|1778335|1778336|1778339|1778340|1778341|1778342|1778343|1778344|1778345|1778346|1794808|1796146|1797105|1799362|1800111|1800303|1804920|1805801|1845191|1845192|1891872|1891873|1891874|1891877|1891878|1891879|1891880|1904899|1904900|1904901|1904902|1904904|1904905|1904906|1904907|1904908
20050624
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemtek|Acmec Biochemical|Activate Scientific|Active Biopharma|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alsachim|Amadis Chemical|Ambeed|Ambinter|AN PharmaTech|Angene Chemical|ApexBio Technology|Apexmol|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|AvaChem Scientific|Axon Medchem|BenchChem|BindingDB|BioChemPartner|BioCrick|Biosynth|BLD Pharm|BOC Sciences|Boerchem|Broad Institute|Burnham Center for Chemical Genomics|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|ChemFish Tokyo Co., Ltd.|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Crystallography Open Database (COD)|CSNpharm|CymitQuimica|DAOGE BIOPHARMA|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|EvitaChem|Excenen Pharmatech|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|Glentham Life Sciences Ltd.|Google Patents|Hangzhou APIChem Technology|Human Metabolome Database (HMDB)|Hunan Chemfish Pharmaceutical Co., Ltd.|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LeadScope|LGC Standards|LKT Labs|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Molecule Market|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Chemical Biology|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIH/NCATS RNAi|NORMAN Suspect List Exchange|NovoSeek|OChem|Parchem|PATENTSCOPE (WIPO)|Pi Chemicals|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Prous Science Drugs of the Future|PubChem Reference Collection|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Shanghai Institute of Organic Chemistry|Sigma-Aldrich|SMID|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|SureChEMBL|SYNCHEM OHG|Syntree|TargetMol|THE BioTek|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Tocris Bioscience|Tox21|ToxPlanet|Tractus|Uchem Meditech|UCSC Chemical Screening Center|University of Kansas High Throughput Screening Laboratory|Wikidata|Wubei-Biochem|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors|D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D000084762 - Viral Protease Inhibitors|C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C97366 - HIV Protease Inhibitor|J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AE - Protease inhibitors|C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent|D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from DrugBank, clinicaltrial, clinicaltrials, clinical trial, clinical trials
6293
Alizarin
Alizarin|72-48-0|Alizarin Red|1,2-dihydroxyanthracene-9,10-dione|Mordant Red 11|1,2-Dihydroxyanthraquinone|Alizarin B|Turkey Red|1,2-Dihydroxy-9,10-anthracenedione|ALIZARINE|1,2-Anthraquinonediol|Alizarina|Alizarine Red|Eljon Madder|Alizarine B|Alizarine NAC|Alizarine Red B|Alizarine Red L|Alizerine NAC|Eljon Madder M|1,2-Dihydroxy-9,10-anthraquinone|Alizarine 3B|Alizarine L paste|Alizarine Red IP|Turkey Red W|Alizarine indicator|Alizarine Red B2|Certiqual Alizarine|Alizarine Red IPP|Alizerine Red IPP|Mitsui Alizarine B|Sanyo Carmine L2B|Mitsui Alizarine BS|Certiqual Alizarine D|Alizarine Lake Red 2P|Alizarine Lake Red 3P|Alizarine Lake Red IPX|C.I. Mordant Red 11|1,2-Dihydroxyanthra-9,10-quinone|C.I. Mordant Red 11C|D And C Orange Number 15|D and C Orange Number 15D|Deep Crimson Madder 10821|Deep Crimson Madder 10821E|1,2-Dihydroxyanthrachinon|C.I. 58000|1,2-Dihydroxy anthraquinone|Alizarine paste 20% bluish|9,10-Anthracenedione, 1,2-dihydroxy-|Alizarine Paste 20 percent Bluish|C.I. 58000C|1,2-Dihydroxy-anthraquinone|D and C Orange No. 15|Anthraquinonic|CCRIS 3530|Anthraquinone, 1,2-dihydroxy-|CHEBI:16866|NSC7212|CI 58000|NSC 7212|EINECS 200-782-5|UNII-60MEW57T9G|BRN 1914037|60MEW57T9G|1322-60-7|DTXSID5045960|AI3-18244|NSC-7212|MFCD00001201|1,2-dihydroxy-9,10-dihydroanthracene-9,10-dione|DIHYDROXY-9,10-ANTHRACENEDIONE|CHEMBL55814|DTXCID3025960|ROUGE COVALAC W 3514|4-08-00-03256 (Beilstein Handbook Reference)|Az|D&C ORANGE NO. 15 (DELISTED)|NCGC00095227-01|Alizarinprimeveroside|Turkey Red (VAN)|CAS-72-48-0|1,2-Dihydroxyanthrachinon [Czech]|Hystazarin|Pincoffin|Alizarin (C.I. 58000)|Alizarin, p.a.|Sanyo Carmine l2BT|ATHRAQUINONES A|Spectrum_000386|SpecPlus_000320|9, 1,2-dihydroxy-|ALIZARIN [MI]|Spectrum2_000397|Spectrum3_000262|Spectrum4_001555|Spectrum5_000150|Epitope ID:116187|SCHEMBL18614|BSPBio_001704|CBDivE_014227|KBioGR_002050|KBioSS_000866|SPECTRUM210850|MLS002207283|DivK1c_006416|Alizarin, Dye content 97 %|SPBio_000613|KBio1_001360|KBio2_000866|KBio2_003434|KBio2_006002|KBio3_001204|CI 58000 [INCI]|HMS1923C03|HMS3651P05|1,10-dihydroxy-2,9-anthraquinone|2,9-dihydroxy-1,10-anthraquinone|9,10-dihydroxy-1,2-anthraquinone|HY-N0563|Tox21_111486|BBL027327|BDBM50206434|CCG-38668|s2526|STK801841|AKOS001639988|Tox21_111486_1|?1,2-Dihydroxy-9,10-anthracenedione|1,2-Dihydroxyanthra-9,10-quinone #|FS-3935|LN: L C666 BV IVJ EQ FQ1|SDCCGMLS-0066502.P001|NCGC00095227-02|NCGC00095227-03|NCGC00095227-04|NCGC00095227-06|1,2-bis(oxidanyl)anthracene-9,10-dione|AC-11708|NCI60_041501|SMR001306798|SY012985|CS-0009103|D0242|NS00013520|SW101224-2|C01474|EN300-136088|F17721|A837539|AE-641/00185064|Q267813|SR-05000002485|SR-05000002485-1|W-104489|BRD-K73191876-001-04-7|F0905-1727|InChI=1/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18
240.210
C14H8O4
74.600
378.000
3.200
18
2
4
0
InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O
RGCKGOZRHPZPFP-UHFFFAOYSA-N
1,2-dihydroxyanthracene-9,10-dione
240.042
240.042
0
1
0
0
0
0
0
0
0
11081
94727
39588
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
16
1|3|5|7|9|13|15|17|19|21|23|25|27|31|33|35|39|45|47|49|51|53|55|57|59|61|65|67|69|71|73|77|79|81|99|101|105|107|109|113|115|119|121|123|129|131|133|137|139|141|143|145|155|157|161|165|167|175|179|256|608|875|880|881|884|885|887|889|892|893|894|900|901|902|910|923|924|927|930|940|995|1030|1033|1379|1422|1452|1454|1457|1458|1460|1463|1467|1468|1469|1471|1476|1477|1478|1479|1487|1490|1519|1549|1552|1637|1648|1688|1865|1948|2101|2107|2112|2147|2451|2472|2517|2528|2546|2549|2551|2564|2565|2572|2573|2662|2778|2782|2783|102409|102410|102411|251352|251355|251357|280501|280502|312303|312304|312305|335922|335923|335924|336953|336954|336955|336956|336957|336958|336959|336960|398696|398697|398700|399804|399805|463420|463421|463422|463423|463424|485281|485290|485350|488839|488862|488895|488896|488899|488965|488966|492953|492956|492961|492972|493005|493008|493032|493033|493087|493091|493098|493131|493160|493187|493244|504326|504327|504329|504332|504339|504357|504411|504414|504423|504441|504444|504454|504462|504490|504523|504558|504577|504582|504621|504634|504648|504690|504692|504700|504707|504720|504734|504749|504766|504770|504775|504803|504832|504834|504845|504847|504865|504884|504891|504894|504937|540248|540253|540263|540267|540295|540299|540303|540308|540317|540336|540364|588334|588335|588345|588348|588352|588354|588379|588391|588405|588413|588436|588453|588456|588458|588473|588475|588489|588492|588493|588497|588499|588501|588519|588549|588579|588590|588591|588621|588664|588674|588683|588689|588692|588726|588727|588795|588814|588819|588834|588850|588852|588855|588856|602123|602141|602162|602163|602179|602229|602233|602244|602247|602248|602250|602252|602261|602274|602281|602310|602313|602314|602329|602332|602340|602342|602346|602363|602393|602396|602399|602405|602410|602429|602438|602440|602449|602481|623870|623877|623901|624030|624031|624032|624037|624038|624040|624044|624125|624126|624127|624168|624169|624170|624171|624172|624173|624178|624202|624204|624246|624256|624263|624267|624268|624288|624296|624297|624304|624330|624352|624354|624377|624414|624415|624416|624417|624418|624463|624464|624465|624466|624467|624483|624606|624607|624608|624609|624611|624612|624613|624616|651550|651560|651572|651582|651599|651600|651602|651610|651631|651632|651633|651634|651635|651636|651640|651644|651647|651654|651658|651661|651687|651699|651702|651704|651710|651711|651718|651719|651723|651724|651725|651768|651800|651819|651820|651821|651823|651957|651958|651965|651982|651983|651984|651999|652010|652017|652025|652039|652048|652051|652054|652067|652104|652105|652106|652115|652126|652154|652162|652163|652197|652257|686940|686964|686970|686971|686978|686979|686980|686992|687014|687016|687036|710857|710858|720496|720498|720502|720504|720508|720509|720511|720516|720532|720533|720542|720543|720551|720552|720553|720579|720580|720582|720596|720634|720635|720637|720647|720648|720658|720674|720675|720678|720679|720680|720681|720682|720683|720684|720685|720686|720687|720691|720692|720693|720700|720702|720704|720707|720708|720709|720711|720717|720719|720725|743012|743014|743015|743033|743035|743036|743040|743041|743042|743053|743054|743063|743064|743065|743066|743067|743069|743074|743075|743077|743078|743079|743080|743081|743083|743084|743085|743086|743091|743094|743122|743126|743139|743140|743191|743194|743199|743202|743203|743209|743210|743211|743212|743213|743215|743217|743218|743219|743220|743221|743222|743223|743224|743225|743226|743227|743228|743238|743239|743240|743241|743242|743244|743247|743255|743266|743269|743279|743280|743282|743397|743398|977599|977602|1053197|1083211|1113642|1113643|1117298|1117304|1117305|1117310|1117312|1117314|1117326|1117329|1117336|1117340|1117341|1117342|1117343|1117346|1159183|1159184|1159185|1159186|1159187|1159188|1159189|1159190|1159191|1159509|1159515|1159516|1159517|1159518|1159519|1159520|1159521|1159523|1159524|1159525|1159526|1159527|1159528|1159529|1159531|1159550|1159551|1159552|1159553|1159555|1159580|1159606|1159607|1159614|1224834|1224835|1224836|1224837|1224838|1224839|1224840|1224841|1224842|1224843|1224844|1224845|1224846|1224847|1224848|1224849|1224852|1224853|1224854|1224855|1224856|1224857|1224858|1224859|1224860|1224861|1224862|1224865|1224867|1224868|1224869|1224870|1224871|1224872|1224873|1224874|1224875|1224876|1224877|1224878|1224879|1224880|1224881|1224882|1224883|1224884|1224885|1224886|1224887|1224888|1224889|1224890|1224892|1224893|1224894|1224895|1224896|1259241|1259242|1259243|1259244|1259247|1259248|1259251|1259310|1259312|1259313|1259318|1259343|1259344|1259355|1259356|1259364|1259365|1259366|1259367|1259368|1259369|1259374|1259377|1259378|1259379|1259380|1259381|1259382|1259383|1259384|1259385|1259386|1259387|1259388|1259389|1259390|1259391|1259392|1259393|1259394|1259395|1259396|1259397|1259398|1259400|1259401|1259402|1259403|1259404|1259407|1259408|1259415|1259416|1259421|1259422|1259423|1272365|1296008|1296009|1345084|1345086|1345199|1346200|1346378|1346428|1346784|1346795|1346798|1346799|1346824|1346829|1346859|1346877|1346891|1346924|1346977|1346978|1346979|1346980|1346981|1346982|1346983|1346984|1346985|1346986|1346987|1347030|1347031|1347032|1347033|1347034|1347035|1347036|1347037|1347038|1347041|1347053|1347055|1347056|1347071|1347075|1347076|1347080|1347082|1347083|1347085|1347086|1347089|1347090|1347091|1347092|1347093|1347094|1347095|1347096|1347097|1347098|1347099|1347100|1347101|1347102|1347103|1347104|1347105|1347106|1347107|1347108|1347120|1347131|1347154|1347395|1347397|1347398|1347399|1347407|1347424|1347425|1383899|1383900|1432427|1432428|1432430|1432431|1453000|1479145|1479147|1479149|1479150|1508586|1508601|1508602|1508616|1508617|1508619|1508620|1508623|1508624|1508626|1508630|1620677|1620726|1620727|1620729|1645839|1645840|1645841|1645842|1645845|1645846|1645851|1645852|1645870|1645876|1645877|1645882|1645883|1645886|1645887|1671188|1671190|1671193|1671194|1671196|1671197|1671198|1671199|1671200|1671201|1671463|1671498|1745845|1745856|1745857|1755162|1845191|1845192|1879867|1879868|1918969|1919968|1919969|1919970|1920001|1920062|1920063|1920064|1920065|1920067|1920068
20040916
001Chemical|3B Scientific (Wuhan) Corp|4C Pharma Scientific Inc|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|Accela ChemBio Inc.|Achemica|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Activate Scientific|Adooq BioScience|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Amadis Chemical|Ambeed|AN PharmaTech|Angene Chemical|Anward|Aronis|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|AvaChem Scientific|BenchChem|BePharm Ltd.|Bic Biotech|BindingDB|BioCrick|BioCyc|Biosynth|BLD Pharm|BOC Sciences|Broad Institute|Burnham Center for Chemical Genomics|CCSbase|CD Formulation|Center for Chemical Genomics, University of Michigan|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemBridge|ChemDB|ChemDiv|Chemenu Inc.|ChemExper Chemical Directory|ChemFaces|Chemical Carcinogenesis Research Information System (CCRIS)|chemical genetic matrix|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|Chen Lab, School of Medicine, Emory University|CHIRALEN|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|Crystallography Open Database (COD)|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Emory University Molecular Libraries Screening Center|Enamine|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|EvitaChem|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fisher Drug Discovery Resource Center|Founder Pharma|Frinton Laboratories|Genetic Toxicology Data Bank (GENE-TOX)|Glentham Life Sciences Ltd.|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Guri Giaever, Pharmaceutical Sciences, University of British Columbia|Hairui Chemical|Hangzhou APIChem Technology|Hangzhou Trylead Chemical Technology|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|Immune Epitope Database (IEDB)|Inhibitor 2|ISpharm|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Keith Lab, Institute of Cancer Science, University of Glasgow|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|Lan Pharmatech|LeadScope|LGC Standards|Life Chemicals|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|MLSMR|MolCore|Molecule Market|Molepedia|MolMall|MolPort|MP Biomedicals|MTDP|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NextBio|NextMove Software|NIAID ChemDB|NIST Chemistry WebBook|NIST Mass Spectrometry Data Center|NMRShiftDB|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|OChem|ORST SMALL MOLECULE SCREENING CENTER|OXCHEM CORPORATION|PATENTSCOPE (WIPO)|Phion Ltd|Probes & Drugs portal|PubChem Reference Collection|R&D Chemicals|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|Sarchem Laboratories, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|SKKU-NRT|Small Molecule Screening Facility, UW Madison|Smolecule|Specs|Springer Nature|SpringerMaterials|Starshine Chemical|SureChEMBL|Syntech Labs|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Thermo Fisher Scientific|Thieme Chemistry|Thomson Pharma|Thoreauchem|TimTec|Tox21|ToxPlanet|Tractus|UCSC Chemical Screening Center|University of Iowa High-Throughput Screening Core (UIHTS)|University of Kansas High Throughput Screening Laboratory|VanderVen Lab, College of Veterinary Medicine, Cornell University|Vitas-M Laboratory|VladaChem|VWR, Part of Avantor|Wikidata|Wiley|Wubei-Biochem|Wutech|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
464205
Tenofovir
Tenofovir|147127-20-6|(R)-9-(2-Phosphonomethoxypropyl)adenine|PMPA|(R)-PMPA|Truvada|tenofovir (anhydrous)|PMPA gel|(R)-(((1-(6-AMINO-9H-PURIN-9-YL)PROPAN-2-YL)OXY)METHYL)PHOSPHONIC ACID|Tenofovir gel|anhydrous tenofovir|Tenofovir anhydrous|tenofovir (anh.)|TFV gel|GS-1275|Apropovir|PMP-A|CHEBI:63625|anh. tenofovir|UNII-W4HFE001U5|GS 1275|GS-1278|Viread (prodrug for Tenofovir)|W4HFE001U5|(R)-9-(Phosphonomethoxypropyl)adenine|(R)-(1-(6-amino-9H-purin-9-yl)propan-2-yloxy)methylphosphonic acid|({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)phosphonic acid|Phosphonic acid, P-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-|DTXSID9040132|[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid|EC 604-571-2|147127-20-6 (Tenofovir)|UNII-99YXE507IL|C9H14N5O4P|9-[(R)-2-(phosphonomethoxy)propyl]adenine|(((1R)-2-(6-Amino-9H-purin-9-yl)-1-methylethoxy)methyl)phosphonic acid|Phosphonic acid, ((2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)-, (R)-|D,L-Tenofovir|(R)-9-[2-(Phosphonomethoxy)propyl]adenine|TENOFOVIR (MART.)|TENOFOVIR (USP-RS)|[(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methylphosphonic acid|[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACID|{[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl}phosphonic acid|Phosphonic acid, (((1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)-|PHOSPHONIC ACID, P-(((1R)-2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY)METHYL)-|CHEBI:63716|GNA & Tenofovir|HHA & Tenofovir|9-PMPA (tenofovir)|PMPA-(R)|tenofovirum|Tenofovir [USAN:INN:BAN]|Rac tenofovir|((((2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphonic acid|(R)-[[2-(6-Amino-9H-purin-9-yl)-1-methylethoxy]methyl]phosphonic acid|Phosphonic acid, [[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-|Tenofovir- Bio-X|Tenofovir (Viread)|9-((R)-2-PHOSPHONOMETHOXY-PROPYL)ADENINE MONOHYDRATE|9-(2-Phosphonylmethoxypropyl)adenine|KS-5021|(((R)-2-(6-Amino-9H-purin-9-yl)-1-methylethoxy)methyl)phosphonic acid, monohydrate|(R)-((2-(6-Amino-9H-purin-9-yl)-1-methylethoxy)methyl)phosphonic acid monohydrate|Phosphonic acid, ((2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)-, monohydrate, (R)-|TENOFOVIR [INN]|TENOFOVIR [MI]|9-PMPA|CHEMBL483|TENOFOVIR [WHO-DD]|SCHEMBL39724|Tenofovir gel (GS-1278)|DTXCID7020132|Tenofovir, >=98% (HPLC)|GTPL10948|J05AF07|SGOIRFVFHAKUTI-ZCFIWIBFSA-N|BCPP000049|HMS3264H05|Tenofovir (1.0 mg/mL in Water)|AC-760|BDBM50450813|MFCD00943794|AKOS015856701|AKOS015894941|CCG-267345|CS-1609|DB14126|NCGC00167535-16|1ST10872|BT164455|HY-13910|AM20090678|NS00000521|T3006|(R)-9-(Phosphonomethoxypropyl)adenine Hydrate|(R)-9-[2-(phosphonomethoxy) propyl] adenine|C17407|EN300-123033|(R)-9-(2-Phosphonomethoxypropyl)adenine Hydrate|AB01274787-01|AB01274787_02|AB01274787_03|A808613|Q155954|SR-01000883934|Q-201787|SR-01000883934-1|BRD-K15891719-001-02-8|Z1546616194|[(2R)-3-(6-aminopurin-9-yl)-2-methyl-propyl] dihydrogen phosphate|[[(1R)-2(6-Amino-9H-Purin-9-Yl)-1-Methylethoxy]Methyl]Phosphonic Acid|[[(1R)-2(6-Amino-9H-purin-9-yl)-1-methylethoxy]methyl]phosphonic Acid;|(((1R)-2-(6-Amino-9H-purin-9-yl)-1-methylethoxy)methyl)phosphonic Acid, Monohydrate|Phosphonic acid, [[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]- & Galanthus nivalis agglutinin (GNA)|Phosphonic acid, [[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]- & Hippeastrum hybrid agglutinin( HHA)|TFO
287.210
C9H14N5O4P
136.000
354.000
-1.600
19
3
8
5
InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1
C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O
CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O
SGOIRFVFHAKUTI-ZCFIWIBFSA-N
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid
287.078
287.078
0
1
0
1
1
0
0
0
0
6678
29104
6901
2D+3D
Tenofovir
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
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20050801
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C254 - Anti-Infective Agent > C281 - Antiviral Agent|D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors|D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors|C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor|D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
468595
Posaconazole
Posaconazole|171228-49-2|Noxafil|Sch 56592|SCH-56592|Posaconazole SP|SCH56592|Schering 56592|4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one|(-)-POSACONAZOLE|UNII-6TK1G07BHZ|6TK1G07BHZ|4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-5-(2,4-DIFLUOROPHENYL)TETRAHYDROFURAN-3-YL)METHOXY)PHENYL)PIPERAZIN-1-YL)PHENYL)-1-((2S,3S)-2-HYDROXYPENTAN-3-YL)-1H-1,2,4-TRIAZOL-5(4H)-ONE|DTXSID6049066|CHEBI:64355|HSDB 7421|CHEMBL1397|DTXCID401474254|MMV688774|POSACONAZOLE (MART.)|POSACONAZOLE [MART.]|177571-33-4|4-(p-(4-(p-(((3R,5R)-5-(2,4-Difluorophenyl)tetrahydro-5-(1H-1,2,4-triazol-1-ylmethyl)-3-furyl)methoxy)phenyl)-1-piperazinyl)phenyl)-1-((1S,2S)-1-ethyl-2-hydroxypropyl)-delta(sup 2)-1,2,4-triazolin-5-one|posaconazol|2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({4-[4-(4-{1-[(2S,3S)-2-hydroxypentan-3-yl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenoxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol|3H-1,2,4-Triazol-3-one, 4-(4-(4-(4-((5-(2,4-difluorophenyl)tetrahydro-5-(1H-1,2,4-triazol-1-ylmethyl)-3-furanyl)methoxy)phenyl)-1-piperazinyl)phenyl)-2-(1-ethyl-2-hydroxypropyl)-2,4-dihydro-, (3R-(3alpha(1S*,2S*),5alpha))-|D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)- 4-((4-(4-(4-(1-((1S,2S)-1-ety|CAS-171228-49-2|C37H42F2N8O4|pasaconazole|posaconazolum|Posaconazole [USAN:INN:BAN]|NCGC00185736-01|3H-1,2,4-Triazol-3-one, 4-[4-[4-[4-[[5-(2,4-difluorophenyl)tetrahydro-5-(1H-1,2,4-triazol-1-ylmethyl)-3-furanyl]methoxy]phenyl]-1-piperazinyl]phenyl]-2-(1-ethyl-2-hydroxypropyl)-2,4-dihydro-, [3R-[3alpha(1S*,2S*),5alpha]]-|4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(1S,2S)-1-ethyl-2-hydroxy-propyl]-1,2,4-triazol-3-one|D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-; Noxafil; Posaconazole; Sch 56592|Noxafil (TN)|Posaconazole- Bio-X|Posaconazole - Form I|Posaconazole - Form III|POSACONAZOLE [MI]|POSACONAZOLE [INN]|POSACONAZOLE [JAN]|POSACONAZOLE [HSDB]|POSACONAZOLE [USAN]|Posaconazole Delayed-Release|NOXAFIL POWDERMIX KIT|POSACONAZOLE [VANDF]|(3R-cis)-4-|POSACONAZOLE [WHO-DD]|SCHEMBL991747|Posaconazole (JAN/USAN/INN)|POSACONAZOLE [EMA EPAR]|GTPL11428|J02AC04|POSACONAZOLE [GREEN BOOK]|POSACONAZOLE [ORANGE BOOK]|AMY30591|BCP01102|Tox21_113620|BDBM50181473|MFCD00941162|s1257|AKOS005145917|Tox21_113620_1|AC-1350|CCG-270387|CS-0998|DB01263|KS-1413|NCGC00274060-01|NCGC00274060-02|NCGC00274060-07|2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol|BP163592|BP163593|BP164281|HY-17373|Posaconazole in combination with MGCD290|1ST156847|NS00002082|P2477|SW219391-1|D02555|P-7020|AB01274762-01|AB01274762_02|Posaconazole, VETRANAL(TM), analytical standard|EN300-19769273|Q906453|Posaconazole, Antibiotic for Culture Media Use Only|2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-|1-((1S,2S)-1-Ethyl-2-hydroxypropyl)-4-{4-[4-(4-{[(5S,3R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazolylmethyl)oxolan-3-yl]methoxy}phenyl)piperazinyl]phenyl}-1,2,4-triazolin-5-one|2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({4-[4-(4-{1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenoxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol|4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)-tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2H-1,2,4-triazol-3(4H)-one|4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-5-(2,4-DIFLUOROPHENYL)TETRAHYDROFURAN-3-YL)METHOXY)PHENYL)PIPERAZIN-1-YL)PHENYL)-2-((2S,3S)-2-HYDROXYPENTAN-3-YL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE|4-(4-(4-(4-(((3R,5R)-5-(2,4-Difluorophenyl)-5-((1H-1,2,4-triazol-1-yl)methyl)tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one|4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)-tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2H-1,2,4-triazol-3(4H)-one|4-[4-(4-{4-[(R)-5-(2,4-difluoro-phenyl)-5-(4,5-dihydro-[1,2,4]triazol-1-ylmethyl)-tetrahydro-furan-3-ylmethoxy]-phenyl}-piperazin-1-yl)-phenyl]-2-((1S,2S)-1-ethyl-2-hydroxy-propyl)-2,4-dihydro-[1,2,4]triazol-3-one|4-{4-[4-(4-{[(3R,5R)-5-(2,4-difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]oxolan-3-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-1-[(2S,3S)-2-hydroxypentan-3-yl]-4,5-dihydro-1H-1,2,4-triazol-5-one|D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-((4-(4-(4-(1-((1S,2S)-1-etyl-2-hydroxypropyl)-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl)phenyl)-1-piperazinyl)phenoxy)methyl)-1-(1H-1,2,4-triazol-1-yl)-|D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-( 1H-1,2,4-triazol-1-yl)-?|D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-
700.800
C37H42F2N8O4
112.000
1170.000
4.600
51
1
11
12
InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1
CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F
CCC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F
RAGOYPUPXAKGKH-XAKZXMRKSA-N
4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one
700.33
700.33
0
1
0
4
4
0
0
0
0
5595
8147
2054
2D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
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5412|525414|525541|525542|525543|525544|525590|525591|525592|525593|525594|525595|525596|525597|525598|525599|525600|525601|525602|529667|529668|530558|530559|530563|530564|531207|531208|531209|531210|531211|531212|531213|531214|531215|531216|531217|531218|531219|531220|531221|531222|531223|531224|531225|531226|531227|531228|531229|531230|531231|531232|531233|531234|531235|531236|531237|531238|531239|531468|531469|531470|531471|532041|532042|532043|532044|532045|532046|532125|532126|532127|532128|532129|532130|532131|532132|532133|532134|532135|532136|532137|532138|532139|532140|532141|532142|532143|532144|532145|532146|532147|532148|532149|532150|532151|532152|532153|532154|532155|532156|532157|532158|532159|532160|532161|532162|532319|532320|532321|532322|532323|532324|532325|532326|532327|532328|532329|532330|532331|532332|532333|532334|532335|532336|532337|532338|532339|532340|532341|532342|532344|532345|532346|532347|532348|532349|532350|532351|532352|533025|533026|533027|533028|535617|535618|535619|535620|535684|535685|535686|535687|535688|535689|535690|541571|541572|541573|541574|541575|541576|541577|541586|541587|541588|541589|541590|541591|541592|541593|541594|541595|541596|541597|541598|541599|541600|541601|541602|541603|541604|541605|541606|541607|541608|541609|541610|541611|541612|541613|541614|541615|541616|541617|541618|541873|541874|541875|541876|541877|541878|541879|541880|541894|541895|541896|541897|541898|542417|542418|542722|542723|542724|542725|542726|542727|542728|542729|542730|542731|542732|545151|545152|545165|545166|545329|545330|545662|545663|545664|545665|545666|545667|545668|546068|546069|546070|546071|546072|546073|546074|546075|546076|546077|546078|546079|546080|546081|547353|547545|547546|547563|547564|547565|547566|547567|547568|547569|547618|547619|547620|547621|549310|549311|549312|549313|549314|549315|549316|549317|549318|549319|549320|549321|549322|549323|549324|549325|549326|549327|549328|549329|555050|555051|555058|555274|555275|555276|555566|555567|555568|555569|555570|555571|555572|555573|555574|555575|555576|555577|555578|555579|555580|555581|555582|555583|555584|555585|555586|555587|555588|555589|555590|555591|555592|555593|555594|555595|555596|555597|555598|555599|555600|555601|555602|555603|555604|555605|555606|555607|555608|555609|555610|555611|555612|555613|555614|555615|555616|555617|555618|555619|555620|555621|555622|555623|555624|555625|555626|555627|555628|555629|555630|555631|555795|555796|555797|555798|555799|555800|555801|555802|555803|555804|555805|555806|555807|555808|555809|555810|555811|555812|555813|555866|557607|557608|557609|557610|557611|557612|557613|557614|557615|557616|557617|557618|557619|557620|557621|557622|557623|557624|557625|557626|557627|557628|557629|557630|557631|557632|557633|557809|557810|557811|557812|559691|559692|559693|559694|559695|559895|560251|560252|560456|560457|560462|560463|560468|560469|560474|560475|560480|560481|560486|560487|561907|561908|561909|561910|561911|561912|561913|561914|561915|561916|561917|561918|561919|561920|561921|561922|561923|561924|562117|562118|563137|563138|563139|563140|563141|563142|563144|563145|563148|563149|563152|563343|563344|563345|563346|563347|563348|563349|563350|563351|563352|563353|563354|563355|563356|563357|563358|563359|563360|563361|563362|563363|563364|563365|563366|563367|563368|563369|563370|563371|563372|563373|563374|563375|563376|563377|563378|563379|563380|563381|563382|563383|563387|563388|563389|563390|563391|563392|563393|563394|563395|563396|563397|563398|563399|563400|563401|563402|563403|563404|563405|563406|563407|563408|563409|563410|563411|563412|563413|563414|563415|563416|563417|563418|563419|563420|563578|563581|563794|563797|563798|563801|563802|563805|563806|563809|563810|563813|563814|563817|563818|563821|563822|563825|563826|563829|563830|563834|564024|564025|564026|564027|564028|564160|564161|564162|564163|564164|564165|564166|564167|564168|564169|564170|564171|564172|564173|564174|564175|564176|564177|564178|564179|564180|564181|564182|564183|564184|564185|564186|564187|564188|564189|564190|564191|564192|564193|564194|564195|564196|564197|564198|564199|564200|564201|564202|564203|564204|564205|564206|564207|564367|564368|564369|564370|564371|564372|564373|564374|564375|564376|564377|564378|564379|564380|564381|564382|564383|564384|564385|564386|564387|564388|564389|564390|564391|564392|564393|564394|564395|564396|564397|564398|564399|564400|564401|564402|564403|564404|564405|564406|564407|564408|564409|564410|564411|564412|564413|564414|564415|564416|564417|564418|564419|564420|564421|564422|564423|564424|564425|564426|564427|564428|564429|564430|564431|564432|564433|564434|564435|564436|564437|564438|564439|564503|564506|564507|564510|564511|564514|564515|564518|564519|564522|564523|564599|564600|564601|564602|564603|564604|564605|564606|564607|564608|564609|564610|564611|564612|564613|564614|564615|564616|564617|564618|564619|564620|564621|564622|564623|5646
20050801
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40632
Pirfenidone
PIRFENIDONE|53179-13-8|5-methyl-1-phenylpyridin-2(1H)-one|Esbriet|Deskar|Pirespa|AMR-69|5-Methyl-1-phenyl-2-(1H)-pyridone|Pirfenidona|Pirfenidonum|2(1H)-Pyridinone, 5-methyl-1-phenyl-|5-methyl-1-phenyl-2(1H)-pyridinone|AMR 69|5-Methyl-1-phenyl-2(1H)-pyridone|5-Methyl-1-phenyl-1H-pyridin-2-one|5-methyl-1-phenyl-2-pyridinone|5-methyl-1-phenylpyridin-2-one|Pirfenidonum [INN-Latin]|Pirfenidona [INN-Spanish]|UNII-D7NLD2JX7U|D7NLD2JX7U|NSC-748456|BRN 1526549|CHEBI:32016|MFCD00866047|2(1H)-Pyridone, 5-methyl-1-phenyl-|5-Methyl-1-phenyl-2-pyridone|DTXSID4045183|HSDB 8340|5-21-07-00197 (Beilstein Handbook Reference)|ESBRIET COMPONENT PIRFENIDONE|NSC 748456|PIRFENIDONE COMPONENT OF ESBRIET|NCGC00015806-03|Pirfenidonum (INN-Latin)|Pirfenidona (INN-Spanish)|5-Methyl-N-phenyl-2-1H-pyridone [Pirfenidone]|PIRFENIDONE (MART.)|PIRFENIDONE [MART.]|Pirfenidone [USAN:INN]|DTXCID2025183|PIRFENIDONE (EP MONOGRAPH)|PIRFENIDONE [EP MONOGRAPH]|CAS-53179-13-8|SR-01000076061|Prfendone|Pirfenidone (JAN/USAN/INN)|5-methyl-1-phenyl-pyridin-2-one|Esbriet (TN)|Pirfenidone- Bio-X|Pirfenidonum (Latin)|Pirfenidone(AMR69)|KS-5041|Tocris-1093|PIRFENIDONE [MI]|Lopac-P-2116|PIRFENIDONE [INN]|PIRFENIDONE [JAN]|F-647|PIRFENIDONE [USAN]|P 2116|PIRFENIDONE [VANDF]|SCHEMBL4708|AMR69|Lopac0_000907|PIRFENIDONE [WHO-DD]|MLS000860042|PIRFENIDONE [EMA EPAR]|GTPL7532|CHEMBL1256391|1-phenyl-5-methyl-2-pyridinone|Pirfenidone, >=97% (HPLC)|L04AX05|PIRFENIDONE [ORANGE BOOK]|Bio1_000397|Bio1_000886|Bio1_001375|HMS2234G24|HMS3262F16|HMS3267I06|HMS3372A08|HMS3412G13|HMS3651P08|HMS3676G13|BCP04473|HY-B0673|Tox21 110225|Tox21_110225|Tox21_500907|BDBM50005201|NSC748456|s2907|AKOS006273697|Tox21_110225_1|AB07515|AC-6797|AM84939|CCG-204989|DB04951|LP00907|SDCCGSBI-0050882.P002|NCGC00015806-01|NCGC00015806-02|NCGC00015806-04|NCGC00015806-05|NCGC00015806-06|NCGC00015806-17|NCGC00024992-01|NCGC00024992-02|NCGC00024992-03|NCGC00261592-01|5-METHYL-N-PHENYL-2-1H-PYRIDONE|BM164275|SMR000326900|SY034783|EU-0100907|NS00001642|P1871|SW220156-1|D01583|Pirfenidone; 5-Methyl-N-phenyl-2-1H-pyridone|EN300-7366392|A829431|J-523979|Q2060696|SR-01000076061-1|SR-01000076061-3|5-METHYL-1-PHENYL-1,2-DIHYDROPYRIDIN-2-ONE|5-Methyl-N-phenyl-2-1H-pyridone-d5(pirfenidone-d5)|BRD-K96862998-001-03-1|BRD-K96862998-001-09-8|Pirfenidone, European Pharmacopoeia (EP) Reference Standard
185.220
C12H11NO
20.300
285.000
1.900
14
0
1
1
InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3
CC1=CN(C(=O)C=C1)C2=CC=CC=C2
CC1=CN(C(=O)C=C1)C2=CC=CC=C2
ISWRGOKTTBVCFA-UHFFFAOYSA-N
5-methyl-1-phenylpyridin-2-one
185.084
185.084
0
1
0
0
0
0
0
0
0
3003
16303
3542
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar
16
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20050624
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|4C Pharma Scientific Inc|A&J Pharmtech CO., LTD.|A2B Chem|A2Z Chemical|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Achemica|Achemo Scientific Limited|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|Adooq BioScience|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Allbio Pharm Co., Ltd|Amadis Chemical|Ambeed|Ambinter|AN PharmaTech|Angel Pharmatech Ltd.|Angene Chemical|Anward|AOBIOUS INC|ApexBio Technology|Apexmol|Aribo Reagent|Ark Pharm, Inc.|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurum Pharmatech LLC|AvaChem Scientific|Axon Medchem|BenchChem|BePharm Ltd.|BerrChemical|Bic Biotech|BindingDB|BioChemPartner|Biocore|BioCrick|Biopharma PEG Scientific Inc|Biosynth|BLD Pharm|BOC Sciences|Boerchem|Broad Institute|Burnham Center for Chemical Genomics|Center for Chemical Genomics, University of Michigan|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemDB|Chemenu Inc.|ChemFaces|ChemFish Tokyo Co., Ltd.|chemical genetic matrix|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|Circadian Research, Kay Laboratory, University of California at San Diego (UCSD)|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|Crystallography Open Database (COD)|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|Day Biochem|DC Chemicals|DiscoveryGate|DrugBank|DrugCentral|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Emory University Molecular Libraries Screening Center|Enamine|Ennopharm|eNovation Chemicals|EPA DSSTox|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fisher Drug Discovery Resource Center|Founder Pharma|Glentham Life Sciences Ltd.|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Hairui Chemical|Hangzhou APIChem Technology|Hefei Hirisun Pharmatech Co., Ltd|Human Metabolome Database (HMDB)|Hunan Chemfish Pharmaceutical Co., Ltd.|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LeadScope|LEAPCHEM|LGC Standards|Matrix Scientific|Mcule|MedChemexpress MCE|Milwaukee Institute for Drug Discovery|MLSMR|MolCore|Molecule Market|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NextBio|NextMove Software|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|Novartis Institutes for BioMedical Research|NovoSeek|Oakwood Products|OChem|OXCHEM CORPORATION|Paczesny and Yang Labs, IUPUI and University of Michigan|PATENTSCOPE (WIPO)|Probes & Drugs portal|Prous Science Drugs of the Future|PubChem Reference Collection|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|Sinfoo Biotech|Small Molecule Screening Facility, UW Madison|Smolecule|Springer Nature|Starshine Chemical|SureChEMBL|Synblock Inc|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Thoreauchem|Tocris Bioscience|Tox21|ToxPlanet|Tractus|TripleBond|Uchem Meditech|UCSC Chemical Screening Center|University of Kansas High Throughput Screening Laboratory|University of Pittsburgh Molecular Library Screening Center|VladaChem|Wikidata|Win-Win Chemical|Wolves R&D chemical|Wubei-Biochem|Wutech|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZINC|Zoeller Lab, School of Medicine, Boston University
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic|D018501 - Antirheumatic Agents|L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants|D000970 - Antineoplastic Agents|D002491 - Central Nervous System Agents > D000700 - Analgesics|D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents|C26170 - Protective Agent > C797 - Radioprotective Agent|D000893 - Anti-Inflammatory Agents|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
216326
Lenalidomide
Lenalidomide|191732-72-6|Revlimid|Revimid|3-(4-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione|CC-5013|CDC 501|CDC-501|Lenalidomide (CC-5013)|3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione|2,6-Piperidinedione, 3-(4-amino-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-|IMiD3|CC 5013|3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione|Lenadoamide|NSC-747972|UNII-F0P408N6V4|DTXSID8046664|CHEBI:63791|ENMD 0997|HSDB 8220|C13H13N3O3|F0P408N6V4|SYP-1512|Revlimid (TN)|(3S)-3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione|1-oxo-2-(2,6-dioxopiperidin-3-yl)-4-aminoisoindoline|DTXCID6026664|MFCD07772307|NSC 747972|NCGC00167491-01|Lenalidomide [USAN]|3-(4-amino-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione|LENALIDOMIDE (MART.)|LENALIDOMIDE [MART.]|Revlimid (lenalidomide)|3-(4-Amino-1-oxo-1,3-dihydro-isoindol-2-yl)-piperidine-2,6-dione|IMiD3 cpd|CAS-191732-72-6|Lenalidomide (USAN/INN)|lenalidomidum|Lenalidomida|Lenalidomide?|Lenalidomide [USAN:INN:BAN]|443912-14-9|ENMD-0997|IMID-5013|CDC-5013|LENALIDOMIDE [MI]|LENALIDOMIDE [INN]|LENALIDOMIDE [JAN]|CHEMBL848|Revlimid (TN) (Celgene)|LENALIDOMIDE [VANDF]|SCHEMBL32978|MLS003899194|LENALIDOMIDE [WHO-DD]|GTPL7331|SCHEMBL1980410|LENALIDOMIDE [EMA EPAR]|3-(4-Amino-1-oxo-2-isoindolinyl)piperidine-2,6-dione|SCHEMBL26646478|BDBM65454|L04AX04|3-(7-Amino-3-oxo-1H-isoindol-2-yl)-piperidine-2,6-dione|BCPP000186|HMS3654G07|HMS3674C05|LENALIDOMIDE [ORANGE BOOK]|BCP01390|HY-A0003|Revlimid, Lenalidomide, CC-5013|Tox21_112492|AC-914|NSC703813|NSC747972|s1029|STK639603|2,6-Piperidinedione, 3-(4-amino-1,3-dihydro-1-oxo-2H- isoindol-2-yl)-|AKOS005146276|AKOS005174869|Tox21_112492_1|BCP9000847|CCG-264781|CS-0125|DB00480|KS-1207|SB66166|NCGC00167491-02|NCGC00167491-03|NCGC00167491-04|BL164614|BP-27972|SMR002529986|SY047646|AM20050439|NS00003666|SW218084-2|D04687|EN300-118706|AB01273975-01|AB01273975-02|AB01273975_03|Q425681|SR-01000883999|Q-101410|SR-01000883999-1|1-Oxo-4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole|Z1515385074|2, 3-(4-amino-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-|3-(4-amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2,6-dioxopiperidine|3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2,6-piperidinedione|(3RS)-3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione|4-amino-2-(6-hydroxy-2-oxo-2,3,4,5-tetrahydropyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one
259.260
C13H13N3O3
92.500
437.000
-0.500
19
2
4
1
InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N
GOTYRUGSSMKFNF-UHFFFAOYSA-N
3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
259.096
259.096
0
1
0
1
0
1
0
0
0
10336
39600
8229
2D+3D
Lenalidomide
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar
16
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4369359
Sitagliptin
Sitagliptin|486460-32-6|Xelevia|MK-0431|(R)-3-AMINO-1-(3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE|LEZ763|Tesavel|sitagliptina|sitagliptine|sitagliptinum|Zituvio|UNII-QFP0P1DV7Z|QFP0P1DV7Z|(3R)-3-AMINO-1-[3-(TRIFLUOROMETHYL)-5H,6H,7H,8H-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7-YL]-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE|CHEBI:40237|HSDB 7516|LEZ 763|LEZ-763|(2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE|(3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one|DTXSID70197572|EC 690-730-1|Sitagliptin (Metformin,MK-0431)|7-((3R)-3-Amino-1-oxo-4-(2,4,5-trifluorophenyl)buyl)-5,6,7,8-tetrahydro-3-trifluoromethyl)-1,4-triazolo(4,3-a)|(3R)-3-Amino-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one|790712-60-6|(2R)-4-OXO-4-(3-(TRIFLUOROMETHYL)-5,6-DIHYDRO(1,2,4)TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE|(3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one|1,2,4-Triazolo(4,3-a)pyrazine, 7-((3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl)-5,6,7,8-tetrahydor-3-(trifluoromethyl)-|1,2,4-Triazolo[4,3-a]pyrazine,7-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-|Sitagliptin [INN]|Sitagliptin (Prop.INN)|SR-05000001748|C16H15F6N5O|(2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE|(3R)-3-amino-1-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one|Sitagliptin (13)|Sitagliptin; MK0431|SITAGLIPTIN [MI]|SITAGLIPTIN [HSDB]|SITAGLIPTIN [USAN]|SITAGLIPTIN [VANDF]|CHEMBL1422|SCHEMBL17783|(3R)-3-Amino-1-|BSPBio_002262|SITAGLIPTIN [WHO-DD]|MLS006011959|SITAGLIPTIN [EMA EPAR]|Sitagliptin [USAN:INN:BAN]|GTPL6286|(2R)-4-oxo-4-|BDBM11162|AMY6930|DTXCID30120063|1x70|HMS2093F20|(3R)-3-amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(R)-3-amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one|4-oxo-4-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine|EX-A2816|WHO 8692|MFCD09838015|NSC813215|ZITUVIMET COMPONENT SITAGLIPTIN|AKOS015888724|CCG-268731|DB01261|NSC-813215|NCGC00178734-03|NCGC00178734-06|NCGC00178734-13|7-[(3r)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazine|AS-19118|HY-13749|SMR002546724|SBI-0206871.P001|Sitagliptin 100 microg/mL in Acetonitrile|NS00000425|S5079|A25516|D08516|EN300-119510|AB01563393_01|AR-270/43507782|Q419832|Q-101366|Q-201711|SR-05000001748-1|BRD-K19416115-001-01-2|BRD-K19416115-001-03-8|Z1521553713|(1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorobenzyl)propylamine|(2r)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a] pyrazin-7(8h)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine|(2r)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl]-1-(2,4,5-trifluorophenyl)butan-2-a|(2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-alpha]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine|(3R)-3-amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,4-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one hydrochloride|(R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine|1,2,4-TRIAZOLO(4,3-A)PYRAZINE-7(8H)-PROPANAMINE, 5,6-DIHYDRO-.GAMMA.-OXO-3-(TRIFLUOROMETHYL)-.ALPHA.-((2,4,5-TRIFLUOROPHENYL)METHYL)-, (.ALPHA.R)-|1,2,4-TRIAZOLO(4,3-A)PYRAZINE-7(8H)-PROPANAMINE, 5,6-DIHYDRO-gamma-OXO-3-(TRIFLUOROMETHYL)-alpha-((2,4,5-TRIFLUOROPHENYL)METHYL)-, (alphaR)-|3-oxo-1-(2,4,5-trifluorobenzyl)-3-(3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)propylamine
407.310
C16H15F6N5O
77.000
566.000
0.700
28
1
10
4
InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N
MFFMDFFZMYYVKS-SECBINFHSA-N
(3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
407.118
407.118
0
1
0
1
1
0
0
0
0
2252
26946
5459
2D+3D
Sitagliptin Phosphate
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar
16
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4943
Propofol
propofol|2,6-DIISOPROPYLPHENOL|2078-54-8|Diprivan|Disoprofol|Disoprivan|Fresofol|Diisopropylphenol|Ampofol|2,6-Bis(1-methylethyl)phenol|Rapinovet|Propofolum|Phenol, 2,6-bis(1-methylethyl)-|Recofol|Ivofol|Pofol|Propofol-Lipuro|Diprifusor|Diprofol|Propovan|2,6-di(propan-2-yl)phenol|ICI 35868|Phenol, 2,6-diisopropyl-|2,6-Diisopropyl phenol|Diprivan 10|Propofolum [Latin]|Dipravan|Propoven|Aquafo|Diprivan Injectable emulsion|2,6 Diisopropylphenol|NSC 5105|ICI-35868|2,6-bis(propan-2-yl)phenol|CCRIS 9000|Lipuro|HSDB 7123|UNII-YI7VU623SF|EINECS 218-206-6|YI7VU623SF|ICI 35,868|BRN 1866484|DTXSID6023523|CHEBI:44915|AI3-26295|NSC5105|Phenol, 2,6-bis(1-methylethyl)|2,6-Di-iso-propylphenol-d18|2,6-diisopropyl-phenol|ICI35,868|MFCD00008885|2,6-bis(Isopropyl)phenol|2,6-dipropan-2-ylphenol|CHEMBL526|ICI 35-868|DTXCID103523|KETAFOL COMPONENT PROPOFOL|Propofol [USAN:USP:INN:BAN]|4-06-00-03435 (Beilstein Handbook Reference)|NSC-5105|Propofolum (Latin)|NCGC00015389-08|Aquafol|CAS-2078-54-8|PROPOFOL (MART.)|PROPOFOL [MART.]|PROPOFOL (USP-RS)|PROPOFOL [USP-RS]|PROPOFOL (EP IMPURITY)|PROPOFOL [EP IMPURITY]|PROPOFOL (EP MONOGRAPH)|PROPOFOL (USP IMPURITY)|PROPOFOL [EP MONOGRAPH]|PROPOFOL [USP IMPURITY]|PROPOFOL (USP MONOGRAPH)|PROPOFOL [USP MONOGRAPH]|Propofol (USAN:USP:INN:BAN)|Propofol IDD-D|Diprivan (TN)|SMR000059151|Propofol(2,6-Diisopropylphenol)|2, 6-Diisopropylphenol|SR-01000075468|DDS-04F|ghl.PD_Mitscher_leg0.558|Rapanofal|PropoClear|PropoFlo|Propofol Lipuro|Propofol 1%|PropoFlo 28|Propofol (Diprivan)|ZD-0859|Phenol,6-diisopropyl-|PROPOFOL [HSDB]|PROPOFOL [USAN]|PROPOFOL [INN]|PROPOFOL [JAN]|PropoFlo, PropoFlo 28|PROPOFOL [MI]|PROPOFOL [VANDF]|Prestwick0_000931|Prestwick1_000931|Prestwick2_000931|Prestwick3_000931|2,6-di isopropyl phenol|Phenol,2,6-diisopropyl-|Biomol-NT_000248|Lopac-D126608|PROPOFOL [WHO-DD]|Propofol (JAN/USP/INN)|Propofol Injectable Emulsion|Lopac0_000437|SCHEMBL36245|BSPBio_000862|MLS001066348|MLS001335999|MLS002454360|BIDD:GT0436|PROPOFOL [GREEN BOOK]|SPECTRUM1505022|Propofol, 1mg/ml in Methanol|SPBio_003031|2,6-Diisopropylphenol, 97%|PROPOFOL [ORANGE BOOK]|BPBio1_000950|BPBio1_000969|GTPL5464|Phenol,6-bis(1-methylethyl)-|Propofol, 10mg/ml in Methanol|Propofol, 50mg/ml in Methanol|N01AX10|Propofol 1.0 mg/ml in Methanol|Propofol, 100mg/ml in Methanol|2,6-Diisopropylphenol, >=97%|3f33|3p50|HMS1570L04|HMS2089O21|HMS2094E17|HMS2097L04|HMS2231E16|HMS3259E03|HMS3261G16|HMS3369I16|HMS3714L04|Pharmakon1600-01505022|Phenol,2,6-bis(1-methylethyl)-|BCP02920|HY-B0649|Tox21_110134|Tox21_201371|Tox21_303225|Tox21_500437|AC8633|BDBM50058046|NSC758909|Phenol, 2, 6-bis(1-methylethyl)-|AKOS009159417|Tox21_110134_1|AC-2038|AM90311|CCG-204529|CS-W020057|DB00818|LP00437|NC00449|NSC-758909|SDCCGMLS-0318084.P029|SDCCGSBI-0050422.P002|2,6-DIISOPROPYLPHENOL; PROPOFOL|MLS-0318084|NCGC00015389-01|NCGC00015389-02|NCGC00015389-03|NCGC00015389-04|NCGC00015389-05|NCGC00015389-06|NCGC00015389-07|NCGC00015389-09|NCGC00015389-10|NCGC00015389-11|NCGC00015389-14|NCGC00015389-17|NCGC00091538-01|NCGC00091538-02|NCGC00091538-03|NCGC00091538-04|NCGC00091538-05|NCGC00091538-06|NCGC00257228-01|NCGC00260670-01|NCGC00261122-01|AS-13299|SY013479|2,6-Diisopropylphenol, analytical standard|BCP0726000298|MLS-0318084.P017|AB00513968|D0617|EU-0100437|NS00007907|EN300-52468|C07523|D00549|AB00513968-07|AB00513968_08|A814898|D126608|Q422740|Q-201631|SR-01000075468-1|SR-01000075468-4|SR-01000075468-6|BRD-K82255054-001-03-5|BRD-K82255054-001-08-4|Propofol, British Pharmacopoeia (BP) Reference Standard|Propofol, European Pharmacopoeia (EP) Reference Standard|Z752915492|Propofol, United States Pharmacopeia (USP) Reference Standard|Propofol, Pharmaceutical Secondary Standard; Certified Reference Material|InChI=1/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H|Propofol for peak identification, European Pharmacopoeia (EP) Reference Standard|113981-41-2
178.270
C12H18O
20.200
135.000
3.800
13
1
1
2
InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
CC(C)C1=C(C(=CC=C1)C(C)C)O
CC(C)C1=C(C(=CC=C1)C(C)C)O
OLBCVFGFOZPWHH-UHFFFAOYSA-N
2,6-di(propan-2-yl)phenol
178.136
178.136
0
1
0
0
0
0
0
0
0
48100
34053
9670
2D+3D
Propofol
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
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
20050325
3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|Abbott Labs|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|Acadechem|Accela ChemBio Inc.|Achemica|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alinda Chemical|Allbio Pharm Co., Ltd|Alsachim|Amadis Chemical|Ambinter|AN PharmaTech|Angene Chemical|Anward|Apexmol|Aribo Reagent|AstaTech, Inc.|Aurora Fine Chemicals LLC|B&C Chemical|BenchChem|BePharm Ltd.|Bic Biotech|BIDD|BindingDB|BioChemPartner|BioCrick|BioCyc|Biosynth|BOC Sciences|Broad Institute|Burnham Center for Chemical Genomics|C. David Weaver Laboratory, Vanderbilt University|CAPOT|Carbott PharmTech Inc.|CCSbase|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemDB|Chemenu Inc.|ChemExper Chemical Directory|Chemical Carcinogenesis Research Information System (CCRIS)|chemical genetic matrix|Chemical Synthesis Database|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|CHIRALEN|Circadian Research, Kay Laboratory, University of California at San Diego (UCSD)|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|CreativePeptides|Crystallography Open Database (COD)|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Emory University Molecular Libraries Screening Center|Enamine|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|EvitaChem|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|Founder Pharma|Fredberg Lab, Harvard T.H. Chan School of Public Health|Glentham Life Sciences Ltd.|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Hangzhou APIChem Technology|Hefei Hirisun Pharmatech Co., Ltd|Horrigan Lab, Baylor College of Medicine|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|Innovapharm|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Jamson Pharmachem Technology|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|KUMGM|LabNetwork, a WuXi AppTec Company|labseeker|LeadScope|LEAPCHEM|LGC Standards|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Milwaukee Institute for Drug Discovery|MLSMR|Molepedia|MP Biomedicals|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Chemical Biology|Nature Chemistry|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIH Clinical Collection|NIH/NCATS RNAi|NIST Chemistry WebBook|NIST Mass Spectrometry Data Center|NMRShiftDB|NORMAN Suspect List Exchange|Novartis Institutes for BioMedical Research|NovoSeek|OXCHEM CORPORATION|Paczesny and Yang Labs, IUPUI and University of Michigan|PATENTSCOPE (WIPO)|Phion Ltd|Pi Chemicals|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Prous Science Drugs of the Future|PubChem Reference Collection|Race Chemical|RR Scientific|SCRIPDB|Shanghai Institute of Organic Chemistry|Sigma-Aldrich|Sinfoo Biotech|Small Molecule Screening Facility, UW Madison|SMID|Smolecule|Southern Research Institute|Springer Nature|SpringerMaterials|Starshine Chemical|SureChEMBL|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thermo Fisher Scientific|Thieme Chemistry|Thomson Pharma|Thoreauchem|TimTec|Tox21|ToxPlanet|Tractus|TripleBond|UCLA Molecular Screening Shared Resource|University of Iowa High-Throughput Screening Core (UIHTS)|University of Kansas High Throughput Screening Laboratory|University of Pittsburgh Molecular Library Screening Center|Vesino Industrial Co., Ltd|Wikidata|Wiley|Wubei-Biochem|Wutech|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC|Zoeller Lab, School of Medicine, Boston University
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic|N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general|D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives|D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
158781
Olmesartan
Olmesartan|144689-24-7|Olmesartan Acid|RNH-6270|omesartan|RNH 6270|1-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylic acid|UNII-8W1IQP3U10|CS-088|NSC-759810|8W1IQP3U10|CHEBI:48416|HSDB 8214|CHEMBL1516|1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-|5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid|DTXSID2040571|EC 646-413-5|MFCD00914967|NSC 759810|1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-((2'-(1H-tetrazol-5-yl) (1,1'-biphenyl)-4-yl)methyl)-|Votum|4-(hydroxy-1-methylethyl)-2-propyl-1-((2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl)methyl)-1H-imidazole-5-carboxylic acid|Olmesartan [USAN]|(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(2H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1H-imidazole-5-carboxylate|1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylic acid|4-(1-Hydroxy-1-methylethyl)-2-propyl-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]-1H-imidazole-5-carboxylic Acid (Olmesartan)|4-(1-hydroxy-1-methylethyl)-2-propyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-imidazole-5-carboxylic acid|4-(2-hydroxypropan-2-yl)-2-propyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-imidazole-5-carboxylic acid|4-(hydroxy-1-methylethyl)-2-propyl-1-{[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl}-1H-imidazole-5-carboxylic acid|SMR000466337|Olmesartan [USAN:INN:BAN]|Benicar;Olmetec|4-(1-hydroxy-1-methylethyl)-2-propyl-1-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-1H-imidazole-5-carboxylic acid|4-(1-hydroxy-1-methylethyl)-2-propyl-1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1H-imidazole-5-carboxylic acid|4-(1-hydroxy-1-methylethyl)-2-propyl-1-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1H-imidazole-5-carboxylic acid|Olmesartan medoximil|Olmesartan Medoxomil Imp. A (EP); 4-(1-Hydroxy-1-methylethyl)-2-propyl-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]-1H-imidazole-5-carboxylic Acid; Olmesartan; Olmesartan Acid; Olmesartan Medoxomil Impurity A|Diclofenacdiethylamine|OLMESARTAN [MI]|OLMESARTAN [INN]|Olmesartan (USAN/INN)|OLMESARTAN [VANDF]|OLMESARTAN [WHO-DD]|SCHEMBL94037|MLS000759446|MLS001424016|MLS006011945|DTXCID0020571|Olmesartan, >=98% (HPLC)|HMS2051K12|HMS2235O24|HMS3369I09|HMS3393K12|HMS3604J06|Pharmakon1600-01505206|BCP12007|BDBM50241364|CS 088|DE-092|NSC759810|s5581|AKOS015900241|AKOS024458255|AC-9385|CCG-100868|CCG-269198|CS-0576|DB00275|NC00118|NCGC00246968-01|NCGC00246968-02|NCGC00246968-04|1ST10402|4-(1-Hydroxy-1-methylethyl)-2-propyl-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic acid|4-(2-hydroxypropan-2-yl)-2-propyl-1-({4-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-imidazole-5-carboxylic acid|AS-10242|HY-17004|Olmesartan medoxomil impurity, olmesartan-|SMR004703526|DB-042742|NS00008999|O0507|C21543|D05246|EN300-122328|A853148|L001097|Olmesartan 100 microg/mL in Acetonitrile:Methanol|Q421156|W-201270|OLMESARTAN MEDOXOMIL IMPURITY A [EP IMPURITY]|Z1541758605|OLMESARTAN MEDOXOMIL IMPURITY, OLMESARTAN- [USP IMPURITY]|1-((2'-(2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylic acid|1H-IMidazole-5-carboxylicacid,4-(1-hydroxy-1-Methylethyl)-2-propyl-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]Methyl]-|4-(1-hydroxy-1-methylethyl) -2-propyl-1-{4-[2-(tetrazole -5-yl)phenyl]phenyl}methylimidazole-5-carboxylic acid|4-(1-hydroxy-1-methylethyl) -2-propyl-1-{4-[2-(tetrazole-5-yl)phenyl]phenyl}methylimidazole-5-carboxylic acid|4-(1-hydroxy-1-methylethyl)-2-propyl-1-{[2''-(1H-tetrazol-5-yl)[1,1''-biphenyl]-4-yl]methyl}-1H-imidazole-5-carboxylic acid|4-(1-hydroxy-1-methylethyl)-2-propyl-1-{[2''-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-imidazole-5-carboxylic acid|4-(1-Hydroxy-1-methylethyl)-2-propyl-1-{4-[2-(tetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylic acid|4-(1-hydroxy-1-methylethyl)-2-propyl-1-{4-[2-(tetrazole-5-yl)phenyl]phenyl}methylimidazole-5-carboxylic acid|4-(2-hydroxypropan-2-yl)-2-propyl-1-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-imidazole-5-carboxylic acid|4-(hydroxy-1-methylethyl)-2-propyl-1-{[2''-(1H-tetrazol-5-yl)-1,1''-biphenyl-4-yl]methyl}-1H-imidazole-5-carboxylic acid|OLM
446.500
C24H26N6O3
130.000
656.000
3.200
33
3
7
8
InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)
CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C)(C)O
CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C)(C)O
VTRAEEWXHOVJFV-UHFFFAOYSA-N
5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
446.207
446.207
0
1
0
0
0
0
0
0
0
903
12388
2794
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
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20050808
1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Acesobio|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|Adooq BioScience|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Alomone Labs|Alsachim|Amadis Chemical|Ambeed|Ambinter|AN PharmaTech|Aribo Reagent|Ark Pharm, Inc.|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|AvaChem Scientific|Axon Medchem|BenchChem|BindingDB|BioChemPartner|BioCrick|Biosynth|BLD Pharm|BOC Sciences|Broad Institute|C. David Weaver Laboratory, Vanderbilt University|Center for Chemical Genomics, University of Michigan|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|Chemenu Inc.|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|Debye Scientific Co., Ltd|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fisher Drug Discovery Resource Center|Glentham Life Sciences Ltd.|GLIDA, GPCR-Ligand Database|Google Patents|Hangzhou APIChem Technology|Horrigan Lab, Baylor College of Medicine|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|ISpharm|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LeadScope|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Milwaukee Institute for Drug Discovery|MLSMR|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NCBI Structure|NextBio|NextMove Software|NIH/NCATS RNAi|NORMAN Suspect List Exchange|NovoSeek|OChem|OXCHEM CORPORATION|PATENTSCOPE (WIPO)|Pi Chemicals|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|PubChem Reference Collection|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|SLING Consortium|Small Molecule Screening Facility, UW Madison|Smolecule|Springer Nature|Starshine Chemical|SureChEMBL|Synthink Research Chemicals|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|Thomson Pharma|Tocris Bioscience|ToxPlanet|Tractus|University of Iowa High-Throughput Screening Core (UIHTS)|University of Kansas High Throughput Screening Laboratory|Wikidata|WikiPathways|Win-Win Chemical|Wutech|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
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D057911 - Angiotensin Receptor Antagonists > D047228 - Angiotensin II Type 1 Receptor Blockers|D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents|C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C66930 - Angiotensin II Receptor Antagonist|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
1738
Homovanillic Acid
Homovanillic acid|306-08-1|4-Hydroxy-3-methoxyphenylacetic acid|2-(4-hydroxy-3-methoxyphenyl)acetic acid|Benzeneacetic acid, 4-hydroxy-3-methoxy-|Vanillacetic acid|Vanilacetic acid|3-Methoxy-4-hydroxyphenylacetic acid|Homovanillate|4-Hydroxy-3-methoxybenzeneacetic acid|(4-HYDROXY-3-METHOXYPHENYL)ACETIC ACID|HVA|Homovaniuic acid|Homovanilic acid|Acetic acid, (4-hydroxy-3-methoxyphenyl)-|Homovanillinic acid|UNII-X77S6GMS36|MFCD00004350|NSC 16682|53587-33-0|X77S6GMS36|3-Methoxy-4-hydroxyphenylacetate|CHEBI:545959|EINECS 206-176-7|NSC-16682|DTXSID5059791|HMDB00118|4-hydroxy-3-methoxy-benzeneacetic acid|2-(3-Methoxy-4-Oxidanyl-Phenyl)ethanoic Acid|4-hydroxy-3-methoxyphenylacetic acid (homovanillic acid)|Acid, Homovanillic|Homovanilate|Vanilacetate|2-(4-hydroxy-3-methoxy-phenyl)acetic acid|homovanillic-acid|4-HYDROXY-3-METHOXYPHENYLACETIC ACID (2,5,6-D3,ALPHA,ALPHA-D2)|YTX|3 Methoxy 4 Hydroxyphenylacetic Acid|4 Hydroxy 3 Methoxyphenylacetic Acid|Acid, 3-Methoxy-4-Hydroxyphenylacetic|Acid, 4-Hydroxy-3-Methoxyphenylacetic|Homovanillic acid; HVA|Homovanillic acid, 98%|Lopac-H-1252|bmse000132|SCHEMBL8792|CHEMBL1562|Lopac0_000632|Oprea1_505423|MLS001056771|HOMOVANILLIC ACID [MI]|DTXCID4038219|QRMZSPFSDQBLIX-UHFFFAOYSA-|4-Hydroxy-3-methoxybenzeneacetate|HMS2233B24|HMS3261P06|HMS3886C14|4-hydroxy-3-methoxyphenyacetic acid|AMY18047|BCP33265|HY-N0384|NSC16682|STR09131|Tox21_500632|4-hydroxy 3-methoxyphenylacetic acid|BBL100126|HB1902|s5642|STK372679|Homovanillic acid, analytical standard|3-methoxy-4-hydroxy-phenylacetic acid|4-hydroxy-3-methoxy-phenylacetic acid|4-hydroxy-3-methoxyphenyl-acetic acid|AKOS005447065|CCG-204720|Homovanillic acid, Fluorimetric reagent|LP00632|PS-3625|SDCCGSBI-0050613.P002|NCGC00015497-01|NCGC00015497-02|NCGC00015497-03|NCGC00015497-04|NCGC00015497-05|NCGC00015497-08|NCGC00093999-01|NCGC00093999-02|NCGC00093999-03|NCGC00261317-01|1ST40053|4-HYDROXY-3-METHOXY BENZENEACETIC|SMR000326729|SY017698|(4-Hydroxy-3-methoxy-phenyl)-acetic acid|(4-hydroxy-3-methyoxy-phenyl)-acetic acid|4-HYDROXY-3-METHOXY-alpha-TOLUIC ACID|CS-0008924|EU-0100632|H0339|NS00015133|C05582|EN300-179380|H 1252|H-3200|4-HYDROXY-3-METHOXY-.ALPHA.-TOLUIC ACID|Q903566|SR-01000075364|Acetic acid, (4-hydroxy-3-methoxyphenyl)- (8CI)|J-610010|SR-01000075364-1|4-Hydroxy-3-methoxyphenylacetic acid Homovanillic acid|562F45C3-F314-46F6-8FC2-74D84EBB9CBC|Z1203162033|4-Hydroxy-3-methoxyphenylacetic acid;Vanillacetic acid;2-(4-Hydroxy-3-methoxyphenyl)acetic acid|InChI=1/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)
182.170
C9H10O4
66.800
181.000
0.400
13
2
4
3
InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)
COC1=C(C=CC(=C1)CC(=O)O)O
COC1=C(C=CC(=C1)CC(=O)O)O
QRMZSPFSDQBLIX-UHFFFAOYSA-N
2-(4-hydroxy-3-methoxyphenyl)acetic acid
182.058
182.058
0
1
0
0
0
0
0
0
0
11663
12264
3289
2D+3D
Homovanillic Acid
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
16
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7418|1347420|1347427|1347428|1347429|1347430|1432859|1432860|1432861|1432862|1432863|1432864|1453183|1508602|1508616|1508618|1508630|1640020|1645758|1645843|1645873|1645882|1645883|1645886|1645887|1671188|1671190|1671193|1671194|1671463|1745845|1745853|1794731|1794732|1794733|1794735|1794736|1794738|1794739|1794740|1794742|1794745|1794746|1794748|1794750|1794751|1794752|1794753|1794754|1794756|1794757|1794758|1794759|1794760|1794761|1794763|1794764|1794765|1794766|1794767|1794768|1794769|1794771|1794772|1794773|1794774|1794775|1794776|1794777|1794778|1794779|1794780|1794781|1794782|1794783|1794784|1794785|1794786|1794787|1794788|1794789|1794790|1794792|1794793|1794794|1794795|1794796|1794798|1794799|1794800|1794808|1794843|1845191|1845192|1918969|1920062
20050325
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Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from PDB, Protein Data Bank
6918296
Dutasteride
Dutasteride|164656-23-9|Avodart|Avolve|GG-745|Duastride|GI 198745|GI-198745|UNII-O0J6XJN02I|O0J6XJN02I|NSC-740477|DTXSID8046452|CHEBI:521033|(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide|NSC-759880|(5alpha,17beta)-N-(2,5-Bis(trifluoromethyl)phenyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide|alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxy-2',5'-xylidide|CHEMBL1200969|DTXCID6026452|JALYN COMPONENT DUTASTERIDE|DUTASTERIDE COMPONENT OF JALYN|NSC 740477|NSC 759880|(1S,3aS,3bS,5aR,9aR,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide|(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(2,5-Bis(trifluoromethyl)phenyl)-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide|1H-Indeno[5,4-f]quinoline-7-carboxamide, N-[2,5-bis(trifluoromethyl)phenyl]-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-|DUTASTERIDE (MART.)|DUTASTERIDE [MART.]|DUTASTERIDE (USP-RS)|DUTASTERIDE [USP-RS]|Dutasteride [USAN]|DUTASTERIDE (EP MONOGRAPH)|DUTASTERIDE [EP MONOGRAPH]|Duagen|DUTASTERIDE (USP MONOGRAPH)|DUTASTERIDE [USP MONOGRAPH]|GG 745|(1S,2R,7R,10S,11S,14S,15S)-N-[2,5-bis(trifluoromethyl)phenyl]-2,15-dimethyl-5-oxo-6-azatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-3-ene-14-carboxamide|Avodart (TN)|dutasteridum|Dutasterida|Avidart|GI198745|Dutasteride [USAN:INN:BAN]|NCGC00164571-01|(5alpha,17beta)-N-[2,5-Bis(trifluoromethyl)phenyl]-3-oxo-4-azaandrost-1-ene-17-carboxamide|1H-Indeno(5,4-f)quinoline-7-carboxamide, N-(2,5-bis(trifluoromethyl)phenyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-|Dutasteride- Bio-X|GI-198745X|DUTASTERIDE [MI]|DUTASTERIDE [INN]|DUTASTERIDE [JAN]|DUTASTERIDE [VANDF]|SCHEMBL5903|DUTASTERIDE [WHO-DD]|Dutasteride (JAN/USP/INN)|GTPL7457|Dutasteride, >=98% (HPLC)|DUTASTERIDE [ORANGE BOOK]|G04CB02|Dutasteride for system suitability|BCPP000248|BCP02344|EX-A1952|Tox21_112199|BDBM50340481|MFCD00937869|NSC740477|s1202|AKOS015920136|AKOS015924431|BCP9000630|CCG-269904|CS-1542|DB01126|GS-3565|17beta-N-(2,5-bis(trifluoromethyl))phenyl-carbamoyl-4-aza-5alpha-androst-1-en-3-one|N-[2,5-bis(trifluoromethyl)phenyl]-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxamide|BD164398|HY-13613|CAS-164656-23-9|D5973|D03820|EN300-124223|AB01274774-01|AB01274774_02|A810580|Q424760|Q-201052|BRD-K30373883-001-02-8|Z1558504346|Dutasteride, European Pharmacopoeia (EP) Reference Standard|Dutasteride, United States Pharmacopeia (USP) Reference Standard|4-Azaandrost-1-ene-17-carboxaMide, N-[2,5-bis(trifluoroMethyl)phenyl]-3-oxo-, (5a,17b)-|Dutasteride for system suitability, European Pharmacopoeia (EP) Reference Standard|(4ar,4bs,6as,7s,9as,9bs,11ar)-n-[2,5-bis(trifluoromethyl)phenyl]-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-1h-indeno[5,4-f]quinoline-7-carboxamide|(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-[2,5-bis(trifluoromethyl)phenyl]-4a,6a-dimethyl-2-oxo-1H,2H,4aH,4bH,5H,6H,6aH,7H,8H,9H,9aH,9bH,10H,11H,11aH-indeno[5,4-f]quinoline-7-carboxamide|(5.ALPHA.,17.BETA.)-N-(2,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-OXO-4-AZAANDROST-1-ENE-17-CARBOXAMIDE|(5.alpha.,5 bis(trifluoromethyl)phenyl}-3-oxo-4-azaandrost-1-ene-17-carboxamide;dutasteride;Avodart;|(5alpha,17beta)-N-{2,5-bis(trifluoromethyl)-phenyl}-3-oxo-4-azaandrost-1-ene-17-carboxamide|.ALPHA.,.ALPHA.,.ALPHA.,.ALPHA.',.ALPHA.',.ALPHA.'-HEXAFLUORO-3-OXO-4-AZA-5.ALPHA.-ANDROST-1-ENE-17.BETA.-CARBOXY-2',5'-XYLIDIDE
528.500
C27H30F6N2O2
58.200
964.000
5.400
37
2
8
2
InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CC[C@@H]5[C@@]3(C=CC(=O)N5)C
CC12CCC3C(C1CCC2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CCC5C3(C=CC(=O)N5)C
JWJOTENAMICLJG-QWBYCMEYSA-N
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
528.221
528.221
0
1
0
7
7
0
0
0
0
2212
11976
2597
2D+3D
Dutasteride
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
311524|588834|589039|591082|625279|625280|625281|625282|625283|625284|625285|625286|625287|625288|625289|625290|625291|625292|651631|651632|651633|651634|652048|652051|686978|686979|720516|720532|720533|720552|720634|720635|720637|720674|720675|720678|720679|720680|720681|720682|720683|720684|720685|720686|720687|720691|720692|720693|720719|720725|743012|743014|743015|743033|743035|743036|743040|743041|743042|743053|743054|743063|743064|743065|743066|743067|743069|743074|743075|743077|743078|743079|743080|743081|743083|743084|743085|743086|743091|743094|743122|743139|743140|743244|1117301|1117302|1117303|1117311|1117315|1117318|1203549|1203550|1203551|1203552|1224863|1259344|1259355|1259356|1259416|1259421|1272905|1272906|1272907|1272908|1272909|1272910|1272911|1272912|1272913|1296008|1345199|1346983|1346984|1346985|1346986|1346987|1347061|1347062|1347063|1347066|1409598|1409605|1473738|1473739|1473740|1473741|1473780|1473781|1473782|1474166|1474167|1508614|1573006|1573007|1640020|1645758|1645882|1645883|1645886|1645887
20060728
001Chemical|10X CHEM|1st Scientific|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbovChem LLC|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Allbio Pharm Co., Ltd|Alsachim|Amadis Chemical|AOBIOUS INC|AstaTech, Inc.|Aurum Pharmatech LLC|BenchChem|BerrChemical|Bic Biotech|BindingDB|BioChemPartner|Biosynth|BOC Sciences|Broad Institute|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|Chemenu Inc.|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Crystallography Open Database (COD)|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|DTP/NCI|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|Excenen Pharmatech|FDA Global Substance Registration System (GSRS)|Glentham Life Sciences Ltd.|Google Patents|Human Metabolome Database (HMDB)|Hunan Huateng Pharmaceutical Co., Ltd.|IBM|iChemical Technology USA Inc|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LGC Standards|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Molepedia|MolPort|MuseChem|NextBio|NextMove Software|NIH/NCATS RNAi|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|OChem|PATENTSCOPE (WIPO)|Probes & Drugs portal|Prous Science Drugs of the Future|PubChem Reference Collection|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|Smolecule|Southern Research Institute|Springer Nature|SureChEMBL|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Tox21|ToxPlanet|Uchem Meditech|Wikidata|Win-Win Chemical|Wutech|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
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D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors|D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058891 - 5-alpha Reductase Inhibitors|C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen|C1892 - Chemopreventive Agent|G - Genito urinary system and sex hormones > G04 - Urologicals > G04C - Drugs used in benign prostatic hypertrophy > G04CB - Testosterone-5-alpha reductase inhibitors|C471 - Enzyme Inhibitor > C2319 - 5 Alpha-Reductase Inhibitor|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
135415867
Azilsartan
Azilsartan|147403-03-0|TAK-536|TAK 536|UNII-F9NUX55P23|F9NUX55P23|TAK536|CHEBI:68850|HSDB 8208|Azilsartan (TAK-536)|CHEMBL57242|1H-Benzimidazole-7-carboxylic acid, 1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl]-2-ethoxy-|DTXSID70163712|2-ethoxy-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylic acid|2-ethoxy-3-[[4-[2-(5-oxo-2H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid|AZILSARTAN (MART.)|AZILSARTAN [MART.]|1H-Benzimidazole-7-carboxylic acid, 1-((2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol- 3-yl)(1,1'-biphenyl)-4-yl)methyl)-2-ethoxy-|2-ethoxy-1-((2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylic acid|2-Ethoxy-1-((2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-biphenyl-4-yl)methyl)-1H-benzimidazole-7-carboxylic acid|2-ethoxy-1-((2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylic acid|2-ETHOXY-1-((2'-(5-OXO-2,5-DIHYDRO-1,2,4-OXADIAZOL-3-YL)BIPHENYL-4-YL)METHYL)-1H-BENZIMIDAZOLE-7-CARBOXYLIC ACID|2-ethoxy-3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid|2-Ethoxy-3-[2'-(5-oxo-4,5-dihydro-[1,2,4]oxadiazol-3-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid|Azilsartan [USAN]|Azilsartan [USAN:INN]|Azilva|2-ethoxy-1-((2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl)methyl)-1H-benzimidazole-7-carboxylic acid|Azilsartan- Bio-X|Azilsartan free acid|Azilva (TN)|AZILSARTAN [MI]|AZILSARTAN [INN]|AZILSARTAN [JAN]|AZILSARTAN [VANDF]|AZILSARTAN [WHO-DD]|Azilsartan (JAN/USAN/INN)|SCHEMBL167538|GTPL6901|Azilsartan, >=98% (HPLC)|DTXCID1086203|AMY4360|KGSXMPPBFPAXLY-UHFFFAOYSA-N|HMS3651J16|HMS3747I09|BCP03826|WDC59945|BDBM50055441|CX1016|MFCD00916395|MFCD20278186|s3046|AKOS007930882|AKOS024458220|AM84439|BCP9000002|CCG-269296|CS-1396|KS-5381|SB20804|NCGC00386206-03|NCGC00386206-04|1-[[2'-(2,5-Dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl]-2-ethoxy-1H-benzimidazole-7-carboxylic Acid|AC-25912|BA164233|HY-14914|SY025841|BCP0726000135|DB-063707|NS00004259|SW219493-1|D08864|AB01566867_01|EN300-6482027|L001451|Q27074832|Z1575099375|1-[[2'-(2,5-Dihydro-5-oxo-1,2,4-oxadiazol-3-yl) [1,1'-biphenyl]-4-yl]methyl]-2-ethoxy-1H-benzimidazole-7-carboxylic acid|2-Ethoxy-1-((2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl)methyl)- 1H-benzimidazole-7-carboxylic acid|2-Ethoxy-1-[[2 inverted exclamation mark -(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylic Acid|2-Ethoxy-1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylic acid|2-Ethoxy-1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)biphenyl4-yl]methyl]benzimidazole-7-carboxylic acid|2-ethoxy-1-{[2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole-7-carboxylic acid|2-Ethoxy-3-[2''-(5-oxo-4,5-dihydro-[1,2,4]oxadiazol-3-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid
456.400
C25H20N4O5
115.000
783.000
4.400
34
2
7
7
InChI=1S/C25H20N4O5/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)34-28-22/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32)
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)O
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)O
KGSXMPPBFPAXLY-UHFFFAOYSA-N
2-ethoxy-3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
456.143
456.143
0
1
0
0
0
0
0
0
0
314
3706
1009
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar
16
2063|16032|18611|23226|23686|26605|39030|39039|173981|181931|181935|183452|183720|183721|197344|568788|568922|1259398|1259399|1259416|1259421|1259423|1296008|1296009|1345084|1346986|1346987|1346995|1347055|1347080|1347159|1347160|1409598|1409605|1479145|1479147|1479149|1479150|1508586|1508601|1508620|1640020|1645758|1645838|1645840|1645841|1645842|1645845|1645846|1645851|1645870|1645876|1645877|1671188|1671193|1671498|1745853|1745854|1745855|1779666|1845191|1845192|1918969
20190115
10X CHEM|1st Scientific|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|A2Z Chemical|AA BLOCKS|AbaChemScene|abcr GmbH|AbMole Bioscience|AbovChem LLC|Accela ChemBio Inc.|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Adooq BioScience|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Alsachim|Amadis Chemical|Ambeed|Ambinter|AN PharmaTech|Angel Pharmatech Ltd.|AOBIOUS INC|ApexBio Technology|Apexmol|Ark Pharm, Inc.|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|AvaChem Scientific|Axon Medchem|BenchChem|Bic Biotech|BindingDB|BioChemPartner|BioCrick|Biosynth|BLD Pharm|BOC Sciences|Boerchem|Broad Institute|Cangzhou Enke Pharma Tech Co.,Ltd.|CAPOT|CEGChem|Center for Chemical Genomics, University of Michigan|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|ChemFish Tokyo Co., Ltd.|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|Clearsynth|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|Crystallography Open Database (COD)|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|Debye Scientific Co., Ltd|DiscoveryGate|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|Elsa Biotechnology|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|EvitaChem|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fisher Drug Discovery Resource Center|Fragmenta|GLIDA, GPCR-Ligand Database|Google Patents|Hangzhou APIChem Technology|Human Metabolome Database (HMDB)|Hunan Chemfish Pharmaceutical Co., Ltd.|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LEAPCHEM|LGC Standards|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Molecule Market|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NextBio|NextMove Software|NORMAN Suspect List Exchange|OChem|PATENTSCOPE (WIPO)|Pi Chemicals|Probes & Drugs portal|PubChem Reference Collection|Race Chemical|RR Scientific|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|SureChEMBL|Synblock Inc|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Tocris Bioscience|ToxPlanet|TripleBond|UCSC Chemical Screening Center|University of Kansas High Throughput Screening Laboratory|VWR, Part of Avantor|Wikidata|Wiley|Win-Win Chemical|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZINC
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2157
Amiodarone
amiodarone|1951-25-3|Cordarone|Amiodarona|Amiodaronum|Amjodaronum|Amiodaronum [INN-Latin]|Amiodarona [INN-Spanish]|L 3428|2-Butyl-3-(3,5-diiodo-4-(2-diethylaminoethoxy)benzoyl)benzofuran|2-n-Butyl-3',5'-diiodo-4'-N-diethylaminoethoxy-3-benzoylbenzofuran|UNII-N3RQ532IUT|EINECS 217-772-1|N3RQ532IUT|2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone|BRN 1271711|L-3428|CCRIS 9360|CHEBI:2663|DTXSID7022592|2-Butyl-3-benzofuranyl p-((2-diethylamino)ethoxy)-m,m-diiodophenyl ketone|(2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone|Methanone, (2-butyl-3-benzofuranyl)(4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)-|CHEMBL633|2-Butyl-3-(3,5-diiodo-4-(beta-diethylaminoethoxy)benzoyl)benzofuran|2-Butyl-3-(4'-beta-N-diethylaminoethoxy-3',5'-diiodobenzoyl)benzofuran|Ketone, 2-butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl|(2-Butyl-3-benzofuranyl)(4-(2-(diethylamino)ethoxy)-3,5-diidophenyl)methanone|DTXCID702592|Amidorone|5-18-02-00353 (Beilstein Handbook Reference)|(2-Butylbenzofuran-3-yl)(4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)methanone|(2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-diiodophenoxy}ethyl)diethylamine|Methanone, (2-butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]-|NCGC00015096-07|Aratac|Amiodarone Base|Amiodaronum (INN-Latin)|Amiodarona (INN-Spanish)|AMIODARONE (MART.)|AMIODARONE [MART.]|(2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone|2-Butyl-3-benzofuranyl 4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl ketone|(2-butyl-1-benzofuran-3-yl)(4-{[2-(diethylamino)ethyl]oxy}-3,5-diiodophenyl)methanone|CAS-1951-25-3|NCGC00015096-12|Amiodarone (USAN/INN)|CAS-19774-82-4|AmiodaroneHCl|Amiodarone [USAN:INN:BAN]|AmiodaroneN-oxide|(2-butyl-1-benzofuran-3-yl)(4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)methanone|BBI|Labaz (Salt/Mix)|Cyto8E2|Cordarone (Salt/Mix)|Spectrum_000261|CRD - Cardiac mixture|AMIODARONE [MI]|AMIODARONE [INN]|Prestwick0_000409|Prestwick1_000409|Prestwick2_000409|Prestwick3_000409|Spectrum2_001813|Spectrum3_001050|Spectrum4_001190|Spectrum5_001533|AMIODARONE [USAN]|Lopac-A-8423|AMIODARONE [VANDF]|AMIODARONE [WHO-DD]|BIDD:PXR0146|CBiol_001740|Lopac0_000122|SCHEMBL16284|BSPBio_000338|BSPBio_001574|BSPBio_002580|KBioGR_000294|KBioGR_001859|KBioSS_000294|KBioSS_000741|BIDD:GT0425|DivK1c_000079|SPBio_001825|SPBio_002277|BPBio1_000372|cid_441325|GTPL2566|BDBM18957|KBio1_000079|KBio2_000294|KBio2_000741|KBio2_002862|KBio2_003309|KBio2_005430|KBio2_005877|KBio3_000587|KBio3_000588|KBio3_001800|C01BD01|NINDS_000079|Bio1_000026|Bio1_000515|Bio1_001004|Bio2_000294|Bio2_000774|HMS1791O16|HMS1989O16|HMS2089C07|SKF-33134-A (Salt/Mix)|BAA95125|Tox21_110083|STK529812|{2-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]ethyl}diethylamine|2-Butyl-3-benzofuranyl-4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl ketone|AKOS005462717|Tox21_110083_1|CCG-204217|DB01118|SDCCGSBI-0050110.P004|(2-Butylbenzofuran-3-yl)(4-(2-(diethylamino)-ethoxy)-3,5-diiodophenyl)methanone|(2-butylbenzofuran-3-yl)-[4-(2-diethylaminoethoxy)-3,5-diiodo-phenyl]-methanone|IDI1_000079|IDI1_034044|QTL1_000008|NCGC00015096-01|NCGC00015096-02|NCGC00015096-03|NCGC00015096-04|NCGC00015096-05|NCGC00015096-06|NCGC00015096-08|NCGC00015096-09|NCGC00015096-10|NCGC00015096-11|NCGC00015096-13|NCGC00015096-14|NCGC00015096-17|NCGC00015096-29|NCGC00024242-03|NCGC00024242-04|NCGC00024242-05|NCGC00024242-06|HY-14187|NCI60_041885|SBI-0050110.P003|AB00053422|NS00010453|UNM000001215003|C06823|D02910|EN300-708787|AB00053422-17|AB00053422_18|AB00053422_19|L001174|Q410061|W-107695|BRD-K17561142-003-16-8|F2173-1018|2-Butyl-3-(3,5-diiodo-4-(.beta.-diethylaminoethoxy)benzoyl)benzofuran|2-Butyl-3-(4'-.beta.-N-diethylaminoethoxy-3',5'-diiodobenzoyl)benzofuran|(2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethoxy)-3,5-diiodophenyl]methanone|(2-Butyl-benzofuran-3-yl)(4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl)methanone #|(2-butylbenzofuran-3-yl)-[4-(2-diethylaminoethyloxy)-3,5-diiodo-phenyl]methanone|(2-n-butyl-3-benzofuranyl) [4-[2-(diethylamino)ethoxyl]-3,5-diiodophenyl] methanone|(2-n-butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxyl]-3,5-diiodophenyl]methanone
645.300
C25H29I2NO3
42.700
547.000
7.600
31
0
4
11
InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I
CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I
IYIKLHRQXLHMJQ-UHFFFAOYSA-N
(2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone
645.024
645.024
0
1
0
0
0
0
0
0
0
26611
33072
7430
2D+3D
Amiodarone
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
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10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Achemo Scientific Limited|Achemtek|Acmec Biochemical|ACT Chemical|Activate Scientific|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Alsachim|Ambeed|Ambinter|AN PharmaTech|Angene Chemical|ApexBio Technology|Ark Pharm, Inc.|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|AvaChem Scientific|BenchChem|BePharm Ltd.|BIDD|BindingDB|BioChemPartner|BioCrick|BioCyc|Biosynth|BLD Pharm|BOC Sciences|Boerchem|Broad Institute|Burnham Center for Chemical Genomics|C. 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Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent|D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors|D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents|D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors|D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers|D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065692 - Cytochrome P-450 CYP3A Inhibitors|D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents|D049990 - Membrane Transport Modulators|D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers|D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065688 - Cytochrome P-450 CYP2C9 Inhibitors|C93038 - Cation Channel Blocker|C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BD - Antiarrhythmics, class iii|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
92727
Lopinavir
Lopinavir|192725-17-0|Aluviran|ABT-378|Koletra|ABT 378|A-157378.0|A 157378.0|Lopinavirum|CHEBI:31781|Lopinavir-|A-157378-0|RS-346|DTXSID8046456|UNII-2494G1JF75|HSDB 8138|Lopinavir, (s-(2s,4s,5s))-|(2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide|(S)-N-((2S,4S,5S)-5-(2-(2,6-dimethylphenoxy)acetamido)-4-hydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide|2494G1JF75|(alphaS)-Tetrahydro-N-((alphaS)-alpha-((2S,3S)-2-hydroxy-4-phenyl-3-(2-(2,6-xylyloxy)acetamido)butyl)phenethyl)-alpha-isopropyl-2-oxo-1(2H)-pyrimidineacetamide|LPV|DTXCID6026456|KALETRA COMPONENT LOPINAVIR|A 157378|LOPINAVIR COMPONENT OF KALETRA|N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE|NCGC00164576-02|LOPINAVIR (MART.)|LOPINAVIR [MART.]|LOPINAVIR (USP-RS)|LOPINAVIR [USP-RS]|(alphaS)-N-[(1S,3S,4S)-4-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-alpha-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetamide|LOPINAVIR (EP MONOGRAPH)|LOPINAVIR [EP MONOGRAPH]|LOPINAVIR (USP MONOGRAPH)|LOPINAVIR [USP MONOGRAPH]|(2S)-N-[(1S,3S,4S)-1-benzyl-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-pentyl]-3-methyl-2-(2-oxohexahydropyrimidin-1-yl)butanamide|SMR002529581|CAS-192725-17-0|C37H48N4O5|ABT378|Lopinavir?|MFCD22628840|1mui|2qhc|2rkf|2rkg|3ogq|Lopinavir [USAN:USP:INN:BAN]|AIDS032937|Lopinavir, Bio-X|(2S)-N-((1S,3S,4S)-1-benzyl-4-{[(2,6-dimethylphenoxy)acetyl]amino}-3-hydroxy-5-phenylpentyl)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide|(2S)-N-[(1S,3S,4S)-1-benzyl-4-{[(2,6-dimethylphenoxy)acetyl]amino}-3-hydroxy-5-phenylpentyl]-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide|(alphaS)-Tetrahydro-N-[(alphaS)-alpha-[(2S,3S)-2-hydroxy-4-phenyl-3-[2-(2,6-xylyloxy)acetamido]butyl]phenethyl]-alpha-isopropyl-2-oxo-1(2H)-pyrimidineacetamide|Lopinavir & PLGA|Kaletra (LPV+RTV)|2o4s|2q5k|4l1a|LOPINAVIR [INN]|LOPINAVIR [JAN]|LOPINAVIR [MI]|LOPINAVIR [USAN]|LOPINAVIR [VANDF]|Lopinavir (ABT-378)|CHEMBL729|LPV & AAG|LOPINAVIR [WHO-DD]|LOPINAVIR [WHO-IP]|Lopinavir (JAN/USP/INN)|SCHEMBL21775|LOPINAVIR [EMA EPAR]|(1S-(1R*(R*),3R*,4R*))-N-(4-(((2,6-Dimethylphenoxy)acetyl)amino)-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl)tetrahydro-alpha-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetamide|(2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide|MLS003915624|MLS004774152|MLS006011206|ABT-378; LOPINAVIR|ABT-378/r|LOPINAVIR [ORANGE BOOK]|GTPL11504|J05AE06|KJHKTHWMRKYKJE-SUGCFTRWSA-N|BCPP000184|LOPINAVIRUM [WHO-IP LATIN]|EX-A4008|Tox21_112204|BDBM50180655|HB7108|Lopinavir & alpha1-acid glycoprotein|s1380|AKOS025243115|Tox21_112204_1|BCP9000857|CCG-270285|CS-2077|DB01601|KS-1436|Lopinavir 100 microg/mL in Acetonitrile|NCGC00164576-01|NCGC00164576-03|NCGC00164576-04|(2S)-N-[(2R,4S,5S)-5-[[2-(2,6-DIMETHYLPHENOXY)ACETYL]AMINO]-4-HYDROXY-1,6-DIPHENYL-HEXAN-2-YL]-3-METHYL-2-(2-OXO-1,3-DIAZINAN-1-YL)BUTANAMIDE|1(2H)-Pyrimidineacetamide, N-((1S,3S,4S)-4-(((2,6-dimethylphenoxy)acetyl)amino)-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl)tetrahyrdo-alpha-1-methylethyl)-2-oxo-, (alphaS)-|BL164636|HY-14588|L0377|NS00008581|SW219767-1|D01425|AB01274785-01|AB01274785_02|EN300-7402887|A813594|Q422585|SR-01000931910|J-521653|SR-01000931910-2|A-1573780|BRD-K99451608-001-02-4|Z2235801862|(1S-(1R*(R*),3R*,4R*))-N-(4-(((2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYL-1-(PHENYLMETHYL)PENTYL)TETRAHYDRO-.ALPHA.-(1-METHYLETHYL)-2-OXO-1(2H)-PYRIMIDINEACETAMIDE|(2S)-N-[(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide|1(2H)-Pyrimidineacetamide, N-[(1S,3S,4S)-4-[[(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-.alpha.-(1-methylethyl)-2-oxo-, (aS)-|1(2H)-Pyrimidineacetamide, N-[(1S,3S,4S)-4-[[(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-alpha-(1-methylethyl)-2-oxo-, (alphaS)- (9CI)|1(2H)-pyrimidineacetamide, N-[(1S,3S,4S)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-alpha-(1-methylethyl)-2-oxo-, (alphaS)-|1(2H)-Pyrimidineacetamide, N-[4-[[(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-alpha-(1-methylethyl)-2-oxo-, [1S-[1R*(R*),3R*,4R*]]-
628.800
C37H48N4O5
120.000
940.000
5.900
46
4
5
15
InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1
CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O
CC1=C(C(=CC=C1)C)OCC(=O)NC(CC2=CC=CC=C2)C(CC(CC3=CC=CC=C3)NC(=O)C(C(C)C)N4CCCNC4=O)O
KJHKTHWMRKYKJE-SUGCFTRWSA-N
(2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
628.362
628.362
0
1
0
4
4
0
0
0
0
7734
29692
6358
2D
Lopinavir
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
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00|720702|720704|720719|720725|724346|726411|726412|726413|726414|726415|726416|726417|726418|726419|743012|743014|743015|743033|743035|743036|743040|743041|743042|743053|743054|743063|743064|743065|743066|743067|743069|743074|743075|743077|743078|743079|743080|743081|743083|743084|743085|743086|743091|743094|743122|743126|743139|743140|743191|743194|743199|743202|743203|743209|743210|743211|743212|743213|743215|743217|743218|743219|743220|743221|743222|743223|743224|743225|743226|743227|743228|743239|743240|743241|743242|743244|743269|743322|743323|743324|743325|743326|743327|743344|743345|743346|743347|743445|977608|977610|977611|1053197|1057014|1057015|1057016|1065160|1079931|1079932|1079933|1079934|1079935|1079936|1079937|1079938|1079939|1079940|1079941|1079942|1079943|1079944|1079945|1079946|1079947|1079948|1079949|1115318|1117264|1117298|1117304|1117305|1117310|1117312|1117314|1117326|1117329|1117336|1117340|1117341|1117342|1117343|1117346|1118938|1118939|1118940|1118942|1118943|1118944|1118945|1118946|1118947|1118948|1118949|1118953|1118954|1118955|1159509|1159515|1159516|1159517|1159518|1159519|1159520|1159521|1159523|1159525|1159526|1159527|1159528|1159529|1159531|1159551|1159552|1159553|1159555|1159614|1189129|1189130|1189131|1189133|1189134|1189135|1189136|1193134|1219719|1219720|1219721|1219722|1219723|1219724|1219725|1219734|1219735|1219736|1219737|1219738|1224824|1224825|1224834|1224835|1224836|1224837|1224838|1224839|1224840|1224841|1224842|1224843|1224844|1224845|1224846|1224847|1224848|1224849|1224857|1224859|1224867|1224868|1224869|1224870|1224871|1224872|1224873|1224874|1224875|1224876|1224877|1224878|1224879|1224880|1224881|1224882|1224883|1224884|1224885|1224886|1224887|1224888|1224889|1224890|1224892|1224893|1224894|1224895|1224896|1259241|1259242|1259243|1259244|1259247|1259248|1259251|1259252|1259253|1259255|1259256|1259318|1259344|1259355|1259356|1259364|1259365|1259366|1259367|1259368|1259369|1259377|1259378|1259379|1259380|1259381|1259382|1259383|1259384|1259385|1259386|1259387|1259388|1259390|1259391|1259392|1259393|1259394|1259395|1259396|1259400|1259401|1259402|1259403|1259404|1259416|1259421|1295706|1296008|1296009|1307690|1307691|1323585|1323586|1345084|1345199|1346378|1346428|1346784|1346795|1346798|1346799|1346824|1346829|1346859|1346877|1346891|1346924|1346977|1346978|1346979|1346980|1346981|1346982|1346983|1346984|1346985|1346986|1346987|1347030|1347031|1347032|1347033|1347034|1347035|1347036|1347037|1347038|1347041|1347053|1347055|1347061|1347062|1347063|1347066|1347075|1347076|1347082|1347083|1347085|1347086|1347089|1347090|1347091|1347092|1347093|1347094|1347095|1347096|1347097|1347098|1347099|1347100|1347101|1347102|1347103|1347104|1347105|1347106|1347107|1347108|1347120|1347154|1347395|1347397|1347398|1347399|1347407|1347424|1347425|1350495|1350502|1350503|1350504|1380924|1380925|1380926|1380927|1380928|1380929|1380930|1409307|1409308|1409309|1409310|1409311|1409312|1409313|1409579|1409580|1409581|1409594|1409598|1409599|1409600|1409601|1409605|1409606|1422656|1422657|1422658|1422659|1422660|1422662|1443980|1473738|1473739|1473740|1473741|1474088|1474089|1474090|1474091|1474092|1479145|1479147|1479149|1479150|1482905|1482906|1482907|1482909|1482911|1482912|1482913|1482914|1482915|1482916|1482917|1482918|1482919|1482920|1482921|1482922|1482923|1482924|1482925|1482926|1482927|1508616|1508620|1508623|1508624|1508627|1508628|1508629|1508630|1593661|1593667|1640020|1645758|1645839|1645840|1645841|1645842|1645845|1645846|1645851|1645870|1645876|1645877|1645882|1645883|1645886|1645887|1669454|1669455|1669456|1669457|1671188|1671190|1671193|1671194|1671196|1671197|1671198|1671199|1671200|1671201|1671463|1671498|1671499|1671500|1678482|1717742|1717743|1717744|1717745|1717746|1717747|1717754|1717811|1725418|1725419|1725420|1725421|1725422|1725423|1745845|1745856|1745857|1796876|1796953|1797110|1799570|1804127|1804171|1805801|1805803|1845191|1845192|1845228|1845236|1873200|1919968|1919969|1919970|1920062|1920063|1920064|1920065|1920067|1920068
20050601
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D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors|D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D000084762 - Viral Protease Inhibitors|C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C97366 - HIV Protease Inhibitor|D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065692 - Cytochrome P-450 CYP3A Inhibitors|C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent|D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from DrugBank, clinicaltrial, clinicaltrials, clinical trial, clinical trials
148192
Atazanavir
Atazanavir|198904-31-3|Latazanavir|Zrivada|Reyataz|BMS-232632|atazanavirum|CGP 73547|CGP-73547|HSDB 7339|UNII-QZU4H47A3S|ATV|QZU4H47A3S|Atazanavir (INN)|BMS 232632|DTXSID9048691|CHEBI:37924|Reyataz (TN)|CHEMBL1163|methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate|DTXCID5028617|NCGC00182552-01|ATAZANAVIR [INN]|Atazanavir [INN:BAN]|1,14-Dimethyl (3S,8S,9S,12S)-3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioate|2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-|2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-, dimethyl ester, (3S-(3R*,8R*,9R*,12R*))-|DR7|methyl N-[(1S)-1-{N'-[(2S,3S)-2-hydroxy-3-[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethylbutanamido]-4-phenylbutyl]-N'-{[4-(pyridin-2-yl)phenyl]methyl}hydrazinecarbonyl}-2,2-dimethylpropyl]carbamate|methyl N-[1-[2-[2-hydroxy-3-[[2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate|Atazanavir Base|DIMETHYL (3S,8S,9S,12S)-9-BENZYL-3,12,DI-TERT-BUTYL-8-HYDROXY-4,11-DIOXO-6-(P-2-PYRIDYLBENZYL)-2,5,6,10,13-PENTAAZATETRADECANEDIOATE|dimethyl (3S,8S,9S,12S)-9-benzyl-3,12-di-tert-butyl-8-hydroxy-4,11-dioxo-6-[4-(2-pyridyl)benzyl]-2,5,6,10,13-pentaazatetradecanedioate|methyl N-[(1S)-1-[[(1S,2S)-1-benzyl-2-hydroxy-3-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-[[4-(2-pyridyl)phenyl]methyl]amino]propyl]carbamoyl]-2,2-dimethyl-propyl]carbamate|methyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate|CAS-198904-31-3|Atazanavir?|2aqu|Reyataz(TM) (*1:1 sulfate*)|(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER|dimethyl (3S,8S,9S,12S)-9-benzyl-3,12-di-tert-butyl-8-hydroxy-4,11-dioxo-6-(4-(2-pyridyl)benzyl)-2,5,6,10,13-pentaazatetradecanedioate|ATAZANAVIR [MI]|ATAZANAVIR [HSDB]|ATAZANAVIR [VANDF]|ATV & AAG|ATV & HSA|ATAZANAVIR [WHO-DD]|SCHEMBL41696|ATAZANAVIR,BISULFATESALT|Atazanavir, >=98% (HPLC)|BDBM13934|GTPL11138|J05AE08|AXRYRYVKAWYZBR-GASGPIRDSA-N|HMS2089P22|AMY31160|Tox21_113081|MFCD08435966|Atazanavir & alpha1-acid glycoprotein|AKOS025396423|Tox21_113081_1|CCG-270390|CS-0945|DB01072|NCGC00182552-02|NCGC00182552-03|NCGC00182552-14|(2S)-N-(3-{[(2S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoylamino][(4-(2-pyridyl)phenyl)methyl]amino}(1S,2S)-2-hydroxy-1-benzylpropyl)-2-(methoxycarbonylamino)-3,3-dimethylbutanamide|3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-2,5,6,10,13-pentaazatetradecanedioic acid dimethyl ester|BS-16315|HY-17367|methyl ((5S,8S,9S,14S)-8-benzyl-5-(tert-butyl)-9-hydroxy-15,15-dimethyl-3,6,13-trioxo-11-(4-(pyridin-2-yl)benzyl)-2-oxa-4,7,11,12-tetraazahexadecan-14-yl)carbamate|NS00000470|S4662|A25022|D07471|AB01274792-01|AB01274792-02|AB01274792-03|AB01274792_04|EN300-20600002|Q423467|SR-01000930924|J-519602|SR-01000930924-2|Z1258932192|6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER|(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5,|2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-, 1,14-dimethyl ester, (3S,8S,9S,12S)-|2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID, 3-12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-((-4-(2-PYRIDINYL)PHENYL)METHYL)-, DIMETHYL ESTER, (3S,8S,9S,12S)-|Atazanavir;(2S)-N-(3-{[(2S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoylamino][(4-(2-pyridyl)phenyl)methyl]amino}(1S,2S)-2-hydroxy-1-benzylpropyl)-2-(methoxycarbonylamino)-3,3-dimethylbutanamide|methyl [(1S,4S,5S,10S)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,7,8,11-tetraazatetradec-1-yl]carbamate (non-preferred name)|methyl N-[(1S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenyl-butan-2-yl]carbamoyl]-2,2-dimethyl-propyl]carbamate|methyl N-[(1S)-1-{[(2S,3S)-3-hydroxy-4-[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethyl-N''-{[4-(pyridin-2-yl)phenyl]methyl}butanehydrazido]-1-phenylbutan-2-yl]carbamoyl}-2,2-dimethylpropyl]carbamate|Methyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenylbutan-2-yl]ami
704.900
C38H52N6O7
171.000
1110.000
5.600
51
5
9
18
InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1
CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC
CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC
AXRYRYVKAWYZBR-GASGPIRDSA-N
methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
704.39
704.39
0
1
0
4
4
0
0
0
0
1690
24105
4855
2D
Atazanavir Sulfate
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
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D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors|D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D000084762 - Viral Protease Inhibitors|C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C97366 - HIV Protease Inhibitor|J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AE - Protease inhibitors|C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent|D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
11167602
Regorafenib
Regorafenib|755037-03-7|BAY 73-4506|Stivarga|4-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)-3-fluorophenoxy)-N-methylpicolinamide|Regorafenibum|BAY73-4506|Regorafenib (BAY 73-4506)|BAY-73-4506|4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide|UNII-24T2A1DOYB|REGORAFENIB ANHYDROUS|24T2A1DOYB|CHEBI:68647|Bay-734506|4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide|CHEMBL1946170|DTXSID60226441|4-(4-(((4-chloro-3-(trifluoromethyl)phenyl)carbamoyl)amino)-3-fluorophenoxy)-n-methylpyridine-2-carboxamide|Regorafenib-13C-d3|Stivarga (TN)|Regorafenib (BAY73-4506,Fluoro-Sorafenib)|2-Pyridinecarboxamide,4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-|UNII-MGN125FS9D|BAY73-4506 hydrochloride|REGORAFENIB (USP-RS)|CHEBI:68646|DTXSID70144349|REGORAFENIB (USP MONOGRAPH)|Regorafenib [INN]|Regorafenib [USAN:INN]|C21H15ClF4N4O3|4-(4-(((4-chloro-3-(trifluoromethyl)phenyl)carbamoyl}amino)-3-fluorophenoxy)-N-methylpyridine-2-carboxamide|REGORAFENIB [MI]|Regorafenib (USAN/INN)|REGORAFENIB [VANDF]|REGORAFENIB [WHO-DD]|MLS006010303|Regorafenib crystalline form I|SCHEMBL432230|Regorafenib,BAY 73-4506|GTPL5891|DTXCID8066840|DTXCID60148932|EX-A058|L01XE21|BCPP000352|HMS3654K16|HMS3672E15|755037-03-7 , Regorafenib|BCP02105|BKD17855|BDBM50363397|MFCD16038047|NSC763932|NSC800865|s1178|AKOS015951107|AM81251|BCP9000384|CCG-269571|CS-0170|DB08896|NSC-763932|NSC-800865|SB16819|NCGC00263138-01|NCGC00263138-13|NCGC00263138-19|4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluoro-phenoxy]-N-methyl-pyridine-2-carboxamide|835621-08-4|AC-25075|AC-31116|AS-16304|HY-10331|SMR004701370|NS00040710|R0142|SW218097-2|cas:835621-07-3;Regorafenib hydrochloride|A25020|D10138|AB01565826_02|SR-01000941571|Q3891664|SR-01000941571-1|BRD-K16730910-001-02-4|Z2235801830|755037-03-7 (anhydrous); 1019206-88-2 (hydrate)|2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-|4-[4-({[4-Chloro-3-(trifluoromethy)phenyl]carbamoyl}amino)-3-fluorophenoxy]-1-methylpyridine-2-carboxamide|4{4-[3-(4-chloro-3-trifluoromethylphenyl)-ureido]-3-fluorophenoxy}-pyridine-2-carboxylic acid methylamide|Regorafenib;1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(2-fluoro-4-(2-(methylcarbamoyl)pyridin-4-yloxy)phenyl)urea
482.800
C21H15ClF4N4O3
92.400
686.000
4.200
33
3
8
5
InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F
CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F
FNHKPVJBJVTLMP-UHFFFAOYSA-N
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
482.077
482.077
0
1
0
0
0
0
0
0
0
3477
12021
3121
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
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20061026
001Chemical|10X CHEM|4C Pharma Scientific Inc|A&J Pharmtech CO., LTD.|A2B Chem|A2Z Chemical|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|AbMole Bioscience|AbovChem LLC|Acesobio|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Product List|Activate Scientific|Active Biopharma|Adooq BioScience|AEchem Scientific Corp., USA|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|AlchemyPharm|Allbio Pharm Co., Ltd|Alsachim|Amadis Chemical|Ambeed|Ambinter|Amfluoro|AN PharmaTech|Angel Pharmatech Ltd.|Angene Chemical|Ansion Pharma|AOBIOUS INC|ApexBio Technology|Apexmol|Ark Pharm, Inc.|Ark Pharma Scientific Limited|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|AvaChem Scientific|Axon Medchem|BenchChem|BePharm Ltd.|Bic Biotech|BindingDB|BioChemPartner|BioCrick|Biosynth|BLD Pharm|BOC Sciences|Broad Institute|CAPOT|CEGChem|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|ChemFaces|ChemFish Tokyo Co., Ltd.|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemShuttle|ChemSpider|Clearsynth|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|Crystallography Open Database (COD)|Cure First|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|DrugBank|DrugCentral|DTP/NCI|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Enamine|eNovation Chemicals|enviPath|EPA DSSTox|Excenen Pharmatech|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fisher Drug Discovery Resource Center|Founder Pharma|Google Patents|Hairui Chemical|Hangzhou APIChem Technology|Hefei Hirisun Pharmatech Co., Ltd|Human Metabolome Database (HMDB)|Hunan Chemfish Pharmaceutical Co., Ltd.|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|Inhibitor 2|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LEAPCHEM|LGC Standards|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|MLSMR|MolCore|Molecule Market|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Chemical Biology|NextBio|NextMove Software|NIH/NCATS RNAi|NORMAN Suspect List Exchange|Oakwood Products|OXCHEM CORPORATION|PATENTSCOPE (WIPO)|Pi Chemicals|Probes & Drugs portal|Prous Science Drugs of the Future|PubChem Reference Collection|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Shanghai Mathcon Pharmaceutical Co.,LTD.|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|Sun-shine Chemical|SureChEMBL|Synblock Inc|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Thoreauchem|ToxPlanet|Uchem Meditech|UCSC Chemical Screening Center|University of Kansas High Throughput Screening Laboratory|VanderVen Lab, College of Veterinary Medicine, Cornell University|VladaChem|Wikidata|Win-Win Chemical|Wolves R&D chemical|Wubei-Biochem|Wutech|Yuhao Chemical|ZINC
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C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor|C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor|C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor|L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors|C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
2353
Berberine
berberine|2086-83-1|Umbellatine|Berberin|Berbericine|Majarine|Thalsine|Umbellatin|Berberone|0I8Y3P32UF|CHEBI:16118|Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-|EINECS 218-229-1|BRN 3570374|UNII-0I8Y3P32UF|Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-|9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium|DTXSID9043857|9,10-Dimethoxy-2,3-(methylenedioxy)-7,8,13,13a-tetrahydroberbinium|Berberal|9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium|16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene|BERBERINE (MART.)|BERBERINE [MART.]|BERBINIUM, 7,8,13,13a-TETRAHYDRO-9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)-|inverted exclamation markY97%|CHEMBL12089|5,6-Dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium|9,10-dimethoxy-2,3-(methylenedioxy)-7,8,13,13a-tetradehydroberbinium|5,6-DIHYDRO-9,10-DIMETHOXY-1,3-BENZODIOXOLO(5,6-A)BENZO(G)QUINOLIZINIUM|5,6-DIHYDRO-9,10-DIMETHOXYBENZO(G)-1,3-BENZODIOXOLO(5,6-A)QUINOLIZINIUM|9,10-DIMETHOXY-5,6-DIHYDRO(1,3)DIOXOLO(4,5-G)ISOQUINO(3,2-A)ISOQUINOLIN-7-IUM|GNF-PF-4545|BER|NSC646666|NCGC00016526-02|NCGC00016526-07|CAS-633-65-8|Berbinium|berberine dimer|Coptis rhizome|7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenebis(oxy))berbinium|7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-[methylenebis(oxy)]berbinium|C20H18NO4|Umbellatine (6CI)|Spectrum_001110|ST055798|Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, chloride|BERBERINE [MI]|Prestwick0_000586|Prestwick1_000586|Prestwick2_000586|Prestwick3_000586|Spectrum2_000894|Spectrum3_000618|Spectrum4_000785|Spectrum5_001458|BERBERINE [VANDF]|UPCMLD-DP032|NCIMech_000354|BERBERINE [WHO-DD]|SCHEMBL25632|BSPBio_000432|BSPBio_002156|KBioGR_001230|KBioSS_001590|cid_12456|DivK1c_000265|SPBio_000708|SPBio_002651|BPBio1_000476|CHEMBL295124|MEGxp0_001923|DTXCID7023857|UPCMLD-DP032:001|ACon1_001957|BCBcMAP01_000112|GTPL11353|KBio1_000265|KBio2_001590|KBio2_004158|KBio2_006726|KBio3_001656|NINDS_000265|34MD1011DM|HMS3561D13|HY-N0716|AC-117|BBL029198|BDBM50203126|CCG-35898|MFCD01175817|s9046|STK870320|7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)berbinium|AKOS002141363|DB04115|SDCCGMLS-0066718.P001|9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo-[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium|IDI1_000265|SMP1_000298|NCGC00016526-01|NCGC00016526-03|NCGC00016526-04|NCGC00016526-05|NCGC00016526-06|NCGC00016526-08|NCGC00016526-11|NCGC00016526-13|NCGC00091896-03|NCI60_001050|NCI60_001224|NCI60_004319|SY232626|SBI-0051613.P002|DB-050153|BERBERINE (CONSTITUENT OF GOLDENSEAL)|CS-0009734|NS00009669|C00757|A904183|Q176525|BERBERINE (CONSTITUENT OF GOLDENSEAL) [DSC]|Q-200701|Q-200702|SR-01000711827-5|BRD-K14796088-003-06-0|BRD-K14796088-003-17-7|Benzylpenicillin benzathine, Antibiotic for Culture Media Use Only|5,6-dihydro-9,10-dimethoxy-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium|Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-|3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinolin-5-ylium|9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium|9,10-Dimethoxy-5,6-dihydro-7lambda~5~-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline|Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy- (9CI)|16,17-dimethoxy-5,7-dioxa-13$l^{5}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium|9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium chloride|9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium; chloride|InChI=1/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+
336.400
C20H18NO4+
40.800
488.000
3.600
25
0
4
2
InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
YBHILYKTIRIUTE-UHFFFAOYSA-N
16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
336.124
336.124
1
1
0
0
0
0
0
0
0
4359
20250
7894
2D+3D
Berberine
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
16
357|410|411|444|445|446|447|448|450|451|526|530|584|585|587|588|589|590|591|592|593|594|595|596|597|603|605|607|608|662|875|880|881|883|884|885|886|887|889|891|892|893|894|899|900|901|902|912|914|915|923|924|925|926|927|938|995|999|1004|1030|1033|1332|1379|1452|1454|1457|1458|1460|1463|1467|1468|1469|1471|1476|1477|1478|1479|1487|1490|1498|1519|1549|1552|1637|1648|1766|1768|1851|1865|1948|2101|2107|2112|2147|2240|2241|2275|2313|2316|2322|2330|2451|2472|2517|2528|2546|2549|2551|434959|485281|485290|504327|504332|504749|504832|504834|504847|504848|504850|504865|576612|588579|602156|602332|613439|613440|613441|620412|624030|624031|624032|624044|624101|624156|624170|624172|624173|624296|624297|629584|629585|629586|629588|629589|629590|629591|632313|632314|644953|646469|648338|651635|656690|656691|656692|656693|659696|659697|659698|659700|670959|686977|694205|694206|694207|694208|699539|699540|699541|718411|718413|718414|718415|718416|720532|720533|720952|720953|720954|720955|720956|720957|720958|720959|743344|743345|743346|743347|743364|743365|743366|767359|767360|1077622|1085134|1085135|1085136|1085137|1097036|1113829|1117901|1117902|1117903|1117904|1117905|1117906|1117907|1117908|1117909|1118307|1118308|1118309|1121556|1121557|1121558|1121559|1121560|1121561|1121562|1121563|1121564|1121565|1121566|1121567|1152199|1159580|1159607|1167294|1167295|1167296|1167297|1167299|1201480|1201481|1201482|1201483|1224824|1224825|1224857|1224859|1224863|1224905|1230136|1230138|1259252|1259253|1259255|1259256|1259310|1259318|1259374|1259397|1259398|1259400|1259416|1259421|1259422|1259423|1272365|1274728|1293873|1295972|1295973|1296008|1296009|1330856|1346986|1346987|1347053|1347055|1347060|1347061|1347062|1347063|1347064|1347065|1347066|1347067|1347068|1347082|1347083|1347085|1347086|1347089|1347090|1347091|1347092|1347093|1347094|1347095|1347096|1347097|1347098|1347099|1347100|1347101|1347102|1347103|1347104|1347105|1347106|1347107|1347108|1347154|1347383|1347411|1352410|1352411|1352412|1352413|1352414|1352415|1352416|1352417|1352418|1352419|1352420|1352432|1352461|1357412|1357413|1357414|1364699|1364951|1364952|1364953|1364954|1364955|1364956|1364957|1365367|1365368|1365369|1365383|1365387|1401669|1415672|1415673|1415674|1415675|1415677|1415678|1415679|1415691|1415698|1416210|1416211|1416212|1429783|1429784|1429785|1429786|1429787|1429788|1429794|1431424|1432741|1432742|1432743|1449709|1449710|1449711|1449712|1449713|1449714|1453011|1453012|1463671|1463674|1463681|1463682|1463684|1463685|1463686|1464190|1464191|1464192|1464193|1464194|1464195|1464196|1464197|1464198|1464199|1464200|1464201|1464202|1464203|1464204|1464205|1464206|1464207|1464208|1464209|1464210|1464211|1481559|1481560|1481561|1481562|1481563|1481564|1481565|1481566|1481567|1481568|1481569|1481570|1481571|1481572|1481573|1486115|1486116|1502948|1502956|1502957|1502958|1502959|1502960|1502961|1508602|1508620|1508623|1508624|1508630|1510759|1510760|1510761|1510762|1510763|1510764|1510765|1510766|1510767|1510768|1515722|1515724|1530116|1530117|1530118|1530119|1530120|1530121|1530126|1530127|1530128|1530129|1530130|1530131|1530132|1533721|1533722|1537265|1537266|1537269|1537270|1537271|1537274|1537275|1537276|1537277|1538880|1538881|1538882|1538883|1538884|1538885|1538886|1538887|1538888|1538889|1538890|1538891|1538892|1538893|1538894|1538895|1538896|1538897|1538898|1538899|1538900|1538901|1538902|1538903|1538904|1538905|1538906|1538907|1538908|1538909|1538910|1538911|1538912|1538913|1538914|1538915|1538916|1538917|1538918|1538919|1538920|1538921|1538922|1538923|1538924|1538925|1538926|1538927|1538928|1538929|1538930|1538931|1538932|1538933|1538934|1538935|1538936|1538937|1538938|1538939|1538940|1538941|1538942|1538943|1538944|1538945|1538946|1538947|1538948|1538949|1538950|1538951|1538952|1538953|1538954|1538955|1538956|1546624|1546628|1546629|1546630|1546631|1546632|1546633|1546634|1546821|1558355|1558357|1558358|1632622|1632624|1632627|1645845|1645846|1645870|1645876|1645877|1653088|1653114|1653115|1653955|1653971|1655176|1668656|1671188|1671190|1671193|1671194|1671202|1671498|1674102|1745845|1765424|1765425|1770339|1770340|1770341|1770342|1770343|1770344|1770345|1770346|1770347|1770348|1770349|1770350|1770351|1770352|1770353|1774352|1774353|1774354|1774355|1774356|1774357|1774358|1774359|1774360|1774361|1774362|1774363|1774364|1774365|1774366|1774367|1774368|1774369|1774370|1774371|1774372|1774373|1774374|1774375|1774376|1774377|1774378|1774379|1774380|1774381|1774382|1774383|1774384|1774385|1774386|1774387|1774388|1774389|1774390|1774391|1774392|1774393|1774394|1774395|1774396|1774397|1774398|1774399|1774400|1774401|1774402|1774403|1774404|1774405|1774406|1774407|1774408|1774409|1774410|1774411|1774412|1774413|1774414|1774415|1774416|1774417|1774418|1774419|1774420|1774421|1774422|1774423|1774424|1774425|1774426|1774427|1774428|1774429|1774430|1774431|1774432|1774433|1774434|1774435|1774436|1774437|1774438|1774439|1774440|1774441|1774442|1774443|1774444|1774445|1774446|1774447|1774448|1774449|1774450|1774451|1774452|1774453|1774454|1774455|1774456|1774457|1774458|1774459|1774460|1774461|1774462|1794808|1794836|1794837|1794838|1794839|1794840|1794841|1802767|1809968|1809969|1809970|1818869|1818870|1818871|1818872|1818873|1818874|1818875|1818876|1818877|1818878|1818879|1818880|1833870|1833873|1833874|1833875|1833878|1833879|1833880|1833881|1833882|1833884|1845191|1845192|1845962|1846491|1846492|1846493|1846494|1882604|1910592|1910608|1910609|1910610|1910611|1910612|1910624|1910626|1910628|1917491|1917492|1917493|1917494|1917495|1917496|1917497|1917498|1917499|1917500|1917501|1919971|1919972|1919973|1919974|1919975|1919976|1919977|1919978|1920058|1920059|1920060|1920061
20040916
001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Accela ChemBio Inc.|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|Adooq BioScience|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Alsachim|Amadis Chemical|Ambeed|Ambinter|AmicBase - Antimicrobial Activities|AN PharmaTech|Angene Chemical|ApexBio Technology|Aribo Reagent|Ark Pharm, Inc.|Ark Pharma Scientific Limited|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|AvaChem Scientific|BenchChem|BePharm Ltd.|Bic Biotech|BIND|BindingDB|BioChemPartner|BioCrick|BioCyc|Biopurify Phytochemicals|Biosynth|BLD Pharm|BOC Sciences|Boerchem|Broad Institute|Burnham Center for Chemical Genomics|CC_PMLSC|CCSbase|Center for Chemical Genomics, University of Michigan|Center for Natural Product Technologies at UIC (CENAPT)|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemBlock|ChemDB|ChemDiv|Chemenu Inc.|ChemExper Chemical Directory|ChemFaces|Chemical Carcinogenesis Research Information System (CCRIS)|chemical genetic matrix|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|Chemodex Ltd.|ChemShuttle|ChemSpider|ChemTik|Chen Lab, School of Medicine, Emory University|CHIRALEN|Clearsynth|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|Crystallography Open Database (COD)|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|Debye Scientific Co., Ltd|DiscoveryGate|DrugBank|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|EMD Millipore|eMolecules|Emory University Molecular Libraries Screening Center|Enamine|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|EvitaChem|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fisher Drug Discovery Resource Center|Founder Pharma|Fredberg Lab, Harvard T.H. Chan School of Public Health|Glentham Life Sciences Ltd.|GNF / Scripps Winzeler lab|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Guri Giaever, Pharmaceutical Sciences, University of British Columbia|Hairui Chemical|Hangzhou APIChem Technology|Herbest Bio-Tech|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KCS Online|KEGG|Keith Lab, Institute of Cancer Science, University of Glasgow|Key Organics/BIONET|King Scientific|Kingston Chemistry|LabNetwork, a WuXi AppTec Company|labseeker|LeadScope|LEAPCHEM|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|MLSMR|MolCore|Molecule Market|Molepedia|MolPort|MP Biomedicals|MTDP|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Chemical Biology|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIH/NCATS RNAi|NINDS Approved Drug Screening Program|NIST Chemistry WebBook|NIST Mass Spectrometry Data Center|NMRShiftDB|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|OChem|ORST SMALL MOLECULE SCREENING CENTER|OXCHEM CORPORATION|Parchem|PATENTSCOPE (WIPO)|PDSP|Pi Chemicals|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Prous Science Drugs of the Future|PubChem Reference Collection|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|Small Molecule Screening Facility, UW Madison|SMID|Smolecule|Southern Research Institute|Springer Nature|SRMLSC|Starshine Chemical|SureChEMBL|Syntech Labs|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thermo Fisher Scientific|Thieme Chemistry|Thomson Pharma|TimTec|Tox21|ToxPlanet|Tractus|TripleBond|UCLA Molecular Screening Shared Resource|UCSC Chemical Screening Center|University of Iowa High-Throughput Screening Core (UIHTS)|University of Kansas High Throughput Screening Laboratory|Vitas-M Laboratory|VladaChem|VWR, Part of Avantor|Wikidata|Wiley|Wubei-Biochem|Wutech|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC|Zoeller Lab, School of Medicine, Boston University
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COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
6267
Asparagine
L-asparagine|asparagine|70-47-3|(S)-asparagine|Aspartamic acid|H-Asn-OH|agedoite|altheine|Asparamide|Crystal VI|asparagine acid|(S)-2,4-diamino-4-oxobutanoic acid|Asparagine, L-|(-)-asparagine|L-Asparagine anhydrous|2-Aminosuccinamic acid|L-Aspartamine|alpha-aminosuccinamic acid|L-2,4-diamino-4-oxobutanoic acid|aspartic acid beta-amide|Asparagine anhydrous|L-asparatamine|(2S)-2-amino-3-carbamoylpropanoic acid|ASN|L-b-Asparagine|Asparagine (VAN)|Aspartic acid amide|2-aminosuccinamic acid, L-|butanoic acid, 2,4-diamino-4-oxo-, (S)-|(2S)-2,4-diamino-4-oxobutanoic acid|L-2-aminosuccinamic acid|L-Asparagin|7NG0A2TUHQ|L-beta-Asparagine (VAN)|L-aspartic acid beta-amide|L-beta-asparagine|NSC 82391|L-Asn|5Z33R5TKO7|2,4-diamino-4-oxobutanoic acid, (S)-|CHEBI:17196|HSDB 7425|EINECS 200-735-9|MFCD00064401|NSC-82391|(S)-2-amino-3-carbamoylpropanoic acid|UNII-5Z33R5TKO7|Nor Benzphetamine Hydrochloride|DTXSID10883220|Aminoplasmal|Normofundin|Nutrifundin|Thomaeamin|(S)-2-Aminosuccinic acid 4-amide|asparagina|L-Asparagin-1-wasser|Hasp|UNII-2PD79VF521|ASPARAGINE ANHYDROUS (USP-RS)|ASPARAGINE ANHYDROUS [USP-RS]|L-(+)-Asparagine|L-.beta.-Asparagine|Aspartic acid b-amide|a-Aminosuccinamic acid|NSC 760099|CHEBI:22653|aspargine|Aspartamate|(-)-Asparagine; Asn; Asparamide|L-?Asparagine|a-Aminosuccinamate|2-Aminosuccinamate|anhydrous,98%|Asn-OH|alpha-Aminosuccinamate|4-imino-L-homoserine|alpha Amminosuccinamate|L-Asparagine (9CI)|H-Asn-OH H|ASPARAGINE [MI]|Aspartic acid beta amide|N-Lauryl-N-methyltaurine|ASPARAGINE [HSDB]|ASPARAGINE [INCI]|ASN NH3+ COOH|alpha Amminosuccinamic acid|Asparagine, L- (8CI)|bmse000030|bmse000912|Aspartic acid .beta. amide|L-ASPARAGINE [FCC]|L-Asparagine (H-Asn-OH)|ASPARAGINE [WHO-DD]|.alpha.-Aminosuccinamic acid|L-(+)-Asparagine anhydrous|CHEMBL58832|ASPARAGINE (L) HYDRATE|(-)-Asparagine;Asn;Asparamide|GTPL4533|p-aminosalicylicacidmagnesiumsalt|SCHEMBL3126352|L-2,4-Diamino-4-oxobutanoate|US9138393, L-Asparigine|US9144538, L-Asparigine|BDBM181137|DTXCID901022769|Pharmakon1600-01301002|(S)-2,4-Diamino-4-oxobutanoate|L-Asparagine, >=98% (HPLC)|HY-N0667|STR07164|B2,4-(S)-diamino-4-oxo-utanoate|NSC760099|s5571|AKOS006239067|AC-4657|AM81554|CCG-266117|DB00174|NSC-760099|B2,4-(S)-diamino-4-oxo-utanoic acid|NCGC00344576-01|BP-23453|A0542|CS-0009702|NS00002372|EN300-67209|L-Asparagine, Vetec(TM) reagent grade, 98%|A-9031|C00152|M02998|A937078|Q29519883|F1905-7151|Nor Benzphetamine Hydrochloride (1.0mg/ml in Methanol)|Z1066276474|3C28F6A9-E581-4255-ACCF-F75597AB288F|L-Asparagine, certified reference material, TraceCERT(R)|Asparagine anhydrous, United States Pharmacopeia (USP) Reference Standard|L-Asparagine, BioReagent, suitable for cell culture, suitable for insect cell culture
132.120
C4H8N2O3
106.000
134.000
-3.400
9
3
4
3
InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
C([C@@H](C(=O)O)N)C(=O)N
C(C(C(=O)O)N)C(=O)N
DCXYFEDJOCDNAF-REOHCLBHSA-N
(2S)-2,4-diamino-4-oxobutanoic acid
132.053
132.053
0
1
0
1
1
0
0
0
0
33945
29266
11024
2D+3D
Asparagine
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active
16
26797|80832|80836|233320|681113|1117326|1117329|1117336|1117340|1117341|1117342|1117343|1117346|1397319|1397320|1397321|1397322|1409598|1425568|1425569|1425571|1425575|1425576|1425577|1425582|1425584|1640020|1645758|1645840|1645841|1645842|1794731|1794732|1794733|1794735|1794736|1794739|1794740|1794742|1794745|1794746|1794748|1794750|1794751|1794752|1794753|1794754|1794755|1794756|1794757|1794758|1794759|1794760|1794761|1794763|1794764|1794765|1794766|1794767|1794768|1794769|1794771|1794772|1794773|1794774|1794775|1794777|1794778|1794779|1794780|1794781|1794782|1794783|1794784|1794785|1794786|1794787|1794788|1794789|1794790|1794792|1794793|1794794|1794795|1794796|1794798|1794799|1794800|1801654|1801670
20040916
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbMole Bioscience|Acadechem|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|Adooq BioScience|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Alichem|Allbio Pharm Co., Ltd|Amadis Chemical|Ambeed|AN PharmaTech|Angene Chemical|Anward|ApexBio Technology|Apexmol|Aribo Reagent|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurum Pharmatech LLC|BenchChem|BePharm Ltd.|Bic Biotech|BIND|BindingDB|BioCrick|BioCyc|Biological Magnetic Resonance Data Bank (BMRB)|Biosynth|BLD Pharm|BOC Sciences|Broad Institute|BroadPharm|CCSbase|CD Formulation|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|Chemenu Inc.|ChemExper Chemical Directory|ChemFaces|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemSpider|ChemTik|Chiralblock Biosciences|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|CreativePeptides|Crystallography Open Database (COD)|CSNpharm|CymitQuimica|DAOGE BIOPHARMA|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|Debye Scientific Co., Ltd|DiscoveryGate|DrugBank|DrugCentral|DTP/NCI|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|EvitaChem|FDA Global Substance Registration System (GSRS)|Founder Pharma|Glentham Life Sciences Ltd.|Golm Metabolome Database (GMD), Max Planck Institute of Molecular Plant Physiology|Google Patents|Hangzhou APIChem Technology|Hoffman Fine Chemicals|Human Metabolome Database (HMDB)|IBM|iChemical Technology USA Inc|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LGC Standards|Life Chemicals|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Chemical Biology|Nature Chemistry|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIST Chemistry WebBook|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|OChem|OtavaChemicals|OXCHEM CORPORATION|Parchem|PATENTSCOPE (WIPO)|Phion Ltd|Pi Chemicals|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|PubChem Reference Collection|RR Scientific|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|Sinfoo Biotech|SLING Consortium|SMID|Smolecule|Springer Nature|Starshine Chemical|SureChEMBL|Syntech Labs|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Thoreauchem|ToxPlanet|Tractus|TripleBond|VladaChem|VWR, Part of Avantor|Watanabe Chemical Ind.|West Coast Metabolomics Center-UC Davis|Wikidata|WikiPathways|Wiley|Wilshire Technologies|Win-Win Chemical|Wolves R&D chemical|Wubei-Biochem|Wutech|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
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COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from PDB, Protein Data Bank
2083
Albuterol
Salbutamol|albuterol|18559-94-9|Proventil|Ventoline|Broncovaleas|dl-Albuterol|dl-Salbutamol|Salbutamolum|Asthalin|Cobutolin|Salbulin|Salbuvent|Saventol|Aerolin|Asmaven|Spreor|Asmol|Ventolin Inhaler|Sultanol|Sultanol N|Ventolin|Proventil HFA|Volmax|Butohaler|Butovent|Dilatamol|Farcolin|Gerivent|Grafalin|Libretin|Novosalmol|Pneumolat|Respolin|Salbetol|Salbuhexal|Salbupur|Salbusian|Salbutalan|Salbutan|Salbutol|Salbuven|Sallbupp|Salmaplon|Servitamol|Suprasma|Tobybron|Vencronyl|Ventamol|Ventilan|Ventiloboi|Almotex|Anebron|Asmadil|Asmanil|Asmasal|Asmatol|Asmidon|Bronter|Bugonol|Butamol|Butotal|Medolin|Parasma|Respax|Sabutal|Salbron|Salomol|Salvent|Theosal|Zaperin|Bumol|Mozal|Suxar|Alti-Salbutamol|Broncho-Spray|Salbu-Fatol|Buto-Asma|Asmol Uni-Dose|Proventil Inhaler|Salbu-BASF|Ventodisks|4-[2-(tert-Butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol|Volare easi-breathe|Arubendol-Salbutamol|Buventol|Salamol|Volare albuterol HFA|Salbutamol sulfate|Airomir|Etinoline|Eolene|AH 3365|Salbutamolum [INN-Latin]|ALBUTEROL (+/-)|4-(2-(tert-Butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol|HSDB 7206|SCH-13949W|UNII-QF8SVZ843E|2-(tert-Butylamino)-1-(4-hydroxy-3-hydroxymethylphenyl)ethanol|EINECS 242-424-0|alpha-[(tert-Butylamino)methyl]-4-hydroxy-m-xylene-alpha,alpha'-diol|QF8SVZ843E|NSC-757417|BRN 2213614|1219798-60-3|CHEBI:2549|1-(tert-Butylaminomethyl)-4-hydroxy-m-xylene-alpha1,alpha3-diol|DTXSID5021255|alpha'-((tert-Butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha'-diol|DL-N-tert-Butyl-2-(4-hydroxy-3-hydroxymethylphenyl)-2-hydroxyethylamine|SCH 13949W|Albuterol [USAN:USP]|Proventil (TN)|(+/-)-Albuterol-d3|MFCD00148978|4-Hydroxy-3-hydroxymethyl-alpha-((tert-butylamino)methyl)benzyl alcohol|alpha(sup 1)-((tert-Butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha'-diol|DTXCID001255|d,l-Salbutamol|35763-26-9|(l)-albuterol|EC 242-424-0|Ventalin inhaler|m-Xylene-alpha,alpha'-diol, alpha-((tert-butylamino)methyl)-4-hydroxy-|1,3-Benzenedimethanol, alpha1-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy-|NSC 757417|Albuterol [USAN]|NCGC00015955-09|Solbutamol|Albuterol (USAN:USP)|m-Xylene-alpha,alpha'-diol, alpha'-((tert-butylamino)methyl)-4-hydroxy-|Salbutamolum (INN-Latin)|1,3-Benzenedimethanol, .alpha.1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-|4-{2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl}-2-(hydroxymethyl)phenol|ALBUTEROL (USP-RS)|ALBUTEROL [USP-RS]|SALBUTAMOL (MART.)|SALBUTAMOL [MART.]|1,3-Benzenedimethanol, alpha(sup 1)-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy-|SALBUTAMOL (EP IMPURITY)|SALBUTAMOL [EP IMPURITY]|ALBUTEROL (USP MONOGRAPH)|ALBUTEROL [USP MONOGRAPH]|SALBUTAMOL (EP MONOGRAPH)|SALBUTAMOL [EP MONOGRAPH]|51022-70-9|2-(tert-Butylamino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanol|Albuterol (USP)|Salbutamol (hemisulfate)|SR-01000075161|salbutamolo|rac Albuterol|racemic salbutamol|Salamol EB|2-t-Butylamino-1-(4-hydroxy-3-hydroxy-3-hydroxymethyl)phenylethanol|alpha1-|Prestwick_665|CAS-18559-94-9|Salbutamol Free Base|(R)-Albuterol;(R)-Salbutamol;Levosalbutamol|Salbutamol,(+/-)|Venetlin (Salt/Mix)|Spectrum_000200|Albuterol (hemisulfate);AH-3365 (hemisulfate)|ALBUTEROL [MI]|Salbutamol [INN:BAN]|ALBUTEROL [HSDB]|SALBUTAMOL [INN]|Prestwick0_000198|Prestwick1_000198|Prestwick2_000198|Prestwick3_000198|Spectrum2_001350|Spectrum4_000887|Spectrum5_001059|ALBUTEROL [VANDF]|CHEMBL714|S 8260|SCHEMBL4913|SALBUTAMOL [WHO-DD]|SALBUTAMOL [WHO-IP]|Lopac0_001090|Lopac0_001098|BSPBio_000155|GTPL558|KBioGR_001294|KBioSS_000680|DivK1c_000943|SPECTRUM1500677|SPBio_001539|SPBio_002076|BPBio1_000171|SGCUT00011|ALBUTEROL [ORANGE BOOK]|SCHEMBL10025126|BCBcMAP01_000116|BDBM25769|HMS502P05|KBio1_000943|KBio2_000680|KBio2_003248|KBio2_005816|4-hydroxy-3-hydroxymethyl-alpha-|NINDS_000943|Bio1_000446|Bio1_000935|Bio1_001424|HMS1568H17|HMS1921C04|HMS2089I19|HMS2092I08|HMS2095H17|HMS3712H17|HMS3886I08|KUC106739N|Pharmakon1600-01500677|4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol|AMY38245|BCP28423|d,l-Salbutamol, 1mg/ml in Ethanol|HY-B1037|Salbutamol-(tert-butyl-d9) acetate|SALBUTAMOLUM [WHO-IP LATIN]|to_000081|Tox21_110266|Tox21_200800|4-{2-[(tert-butyl)amino]-1-hydroxyethyl}-2-(hydroxymethyl)phenol|CCG-39288|NSC757417|PDSP1_000623|PDSP2_000620|s5494|AKOS007930174|Tox21_110266_1|CS-4556|DB01001|KS-5209|SB19749|SDCCGSBI-0051060.P006|IDI1_000943|SMP1_000268|NCGC00015955-04|NCGC00015955-05|NCGC00015955-06|NCGC00015955-07|NCGC00015955-08|NCGC00015955-10|NCGC00015955-11|NCGC00015955-12|NCGC00015955-13|NCGC00015955-14|NCGC00015955-16|NCGC00015955-28|NCGC00024698-02|NCGC00024698-03|NCGC00024698-04|NCGC00024698-05|NCGC00024698-06|NCGC00024698-07|NCGC00258354-01|AC-10286|BA164143|KSC-11-222-1|Salbutamol 100 microg/mL in Acetonitrile|SBI-0051060.P005|AB00052154|EU-0101090|NS00000415|VU0243312-5|D02147|EN300-365894|F15026|Salbutamol, VETRANAL(TM), analytical standard|AB00052154-08|AB00052154-09|AB00052154_10|AB00052154_11|(+)-5,6-O-CYCLOHEXYLIDENE-L-ASCORBICACID|A812971|L000531|Q410358|Q-201695|Q-201696|SR-01000075161-3|SR-01000075161-4|SR-01000075161-5|SR-01000075161-8|BRD-A88254928-001-04-6|BRD-A88254928-001-05-3|SR-01000075161-11|Z2301287926|Salbutamol, British Pharmacopoeia (BP) Reference Standard|Salbutamol, European Pharmacopoeia (EP) Reference Standard|Albuterol, United States Pharmacopeia (USP) Reference Standard|4-[2-(tert-Butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol #|4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenol|1-(tert-Butylaminomethyl)-4-hydroxy-m-xylene-.alpha.1,.alpha.3-diol|4-Hydroxy-3-hydroxymethyl-.alpha.-((tert-butylamino)methyl)benzyl alcohol|alpha-[(tert-Butylamino)methyl]-4-hydroxy-m-xylene-alpha,alpha1-diol|.alpha.'-((tert-Butylamino)methyl)-4-hydroxy-m-xylene-.alpha.,.alpha.'-diol|.alpha.1'-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol, hemisulfate|.alpha.1-[(tert-Butylamino)methyl]-4-hydroxy-m-xylene-.alpha.,.alpha.'-diol|1,3-Benzenedimethanol, .alpha.(1)-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-|m-Xylene-.alpha.,.alpha.'-diol, .alpha.'-((tert-butylamino)methyl)-4-hydroxy-|m-Xylene-.alpha.,.alpha.-diol, .alpha.-1-((tert-butylamino)methyl)-4-hydroxy-|(+/-)-1,3-BENZENEDIMETHANOL, .ALPHA.(SUP 1)-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-4-HYDROXY-|1,3-BENZENEDIMETHANOL, .ALPHA.(SUP 1)-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-4-HYDROXY-|148563-15-9
239.310
C13H21NO3
72.700
227.000
0.300
17
4
4
5
InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O
CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O
NDAUXUAQIAJITI-UHFFFAOYSA-N
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
239.152
239.152
0
1
0
1
0
1
0
0
0
23792
94116
19599
2D+3D
Albuterol
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
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1259310|1259312|1259318|1259325|1259344|1259354|1259355|1259356|1259364|1259365|1259366|1259367|1259368|1259369|1259374|1259377|1259378|1259379|1259380|1259381|1259382|1259383|1259384|1259385|1259386|1259387|1259388|1259389|1259390|1259391|1259392|1259393|1259394|1259395|1259396|1259397|1259398|1259399|1259400|1259401|1259402|1259403|1259404|1259416|1259421|1259422|1259423|1259426|1259427|1296008|1296009|1345084|1345086|1345199|1346200|1346212|1346250|1346378|1346428|1346784|1346795|1346798|1346799|1346824|1346829|1346859|1346877|1346891|1346924|1346977|1346978|1346979|1346980|1346981|1346982|1346986|1346987|1347030|1347031|1347032|1347033|1347034|1347035|1347036|1347037|1347038|1347045|1347049|1347050|1347053|1347055|1347060|1347061|1347062|1347063|1347064|1347065|1347066|1347067|1347068|1347074|1347079|1347080|1347082|1347083|1347085|1347086|1347089|1347090|1347091|1347092|1347093|1347094|1347095|1347096|1347097|1347098|1347099|1347100|1347101|1347102|1347103|1347104|1347105|1347106|1347107|1347108|1347131|1347154|1347166|1347384|1347395|1347397|1347398|1347399|1347407|1347411|1347418|1347420|1347424|1347425|1347427|1347428|1347429|1347430|1376808|1409594|1409598|1409605|1443987|1443991|1443992|1443995|1449628|1473738|1473739|1473740|1473741|1474166|1474167|1479145|1479147|1479149|1479150|1508586|1508601|1508602|1508614|1508616|1508620|1508623|1508624|1508626|1508630|1594134|1594135|1594137|1594139|1594140|1594141|1594144|1594145|1626022|1626023|1626024|1636356|1636357|1636440|1640020|1645758|1645839|1645840|1645841|1645842|1645843|1645845|1645846|1645851|1645870|1645876|1645877|1645882|1645883|1645886|1645887|1671188|1671190|1671193|1671194|1671196|1671197|1671198|1671199|1671200|1671201|1671498|1745844|1745845|1745856|1745857|1760528|1760529|1774075|1774076|1774078|1774079|1794731|1794732|1794733|1794735|1794736|1794738|1794739|1794740|1794742|1794745|1794746|1794748|1794750|1794751|1794752|1794753|1794754|1794755|1794756|1794757|1794758|1794759|1794760|1794761|1794763|1794764|1794765|1794766|1794767|1794768|1794769|1794772|1794773|1794774|1794775|1794776|1794777|1794778|1794779|1794780|1794781|1794782|1794784|1794785|1794786|1794787|1794788|1794789|1794790|1794792|1794793|1794794|1794795|1794796|1794798|1794799|1794800|1798580|1798855|1845191|1845192|1873862|1873863|1906919|1906920|1906921|1906923|1906924|1906925|1906926|1906927|1906928|1906929|1906930|1906931|1906939|1906989|1918969|1918990|1919968|1919969|1919970|1920063|1920064|1920065|1920067|1920068
20050325
001Chemical|10X CHEM|3WAY PHARM INC|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Activate Scientific|Adooq BioScience|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|AlchemyPharm|Alfa Chemistry|Alichem|Alsachim|Amadis Chemical|Ambinter|AN PharmaTech|Angel Pharmatech Ltd.|Angene Chemical|Apexmol|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|BenchChem|BePharm Ltd.|BindingDB|BioChemPartner|Biocore|BioCrick|Biosynth|BOC Sciences|Broad Institute|Burnham Center for Chemical Genomics|C. David Weaver Laboratory, Vanderbilt University|Carcinogenic Potency Database (CPDB)|CCSbase|Center for Chemical Genomics, University of Michigan|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemDB|Chemenu Inc.|ChemFish Tokyo Co., Ltd.|chemical genetic matrix|Chemical Synthesis Database|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|Chen Lab, School of Medicine, Emory University|Circadian Research, Kay Laboratory, University of California at San Diego (UCSD)|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|CymitQuimica|DC Chemicals|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|EMD Millipore|eMolecules|Emory University Molecular Libraries Screening Center|Enamine|eNovation Chemicals|enviPath|EPA DSSTox|EPA Substance Registry Services|EvitaChem|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fisher Drug Discovery Resource Center|FondChemical Co., Ltd|Founder Pharma|Fredberg Lab, Harvard T.H. Chan School of Public Health|Glentham Life Sciences Ltd.|GLIDA, GPCR-Ligand Database|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Guri Giaever, Pharmaceutical Sciences, University of British Columbia|Hairui Chemical|Hangzhou APIChem Technology|Hangzhou Trylead Chemical Technology|Human Metabolome Database (HMDB)|Hunan Chemfish Pharmaceutical Co., Ltd.|Hunan Huateng Pharmaceutical Co., Ltd.|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|Innovapharm|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Keith Lab, Institute of Cancer Science, University of Glasgow|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LeadScope|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Mcule|MedChemexpress MCE|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Milwaukee Institute for Drug Discovery|MLSMR|MolCore|Moldb|Molecular Libraries Program, Specialized Chemistry Center, University of Kansas|Molecule Market|Molepedia|MolPort|MP Biomedicals|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Chemical Biology|NextBio|NextMove Software|NIAID ChemDB|NIH Clinical Collection|NIH/NCATS RNAi|NINDS Approved Drug Screening Program|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|Novartis Institutes for BioMedical Research|NovoSeek|Oakwood Products|OChem|ORST SMALL MOLECULE SCREENING CENTER|OXCHEM CORPORATION|Paczesny and Yang Labs, IUPUI and University of Michigan|PANACHE|Parchem|PATENTSCOPE (WIPO)|PDSP|Pi Chemicals|Probes & Drugs portal|Prous Science Drugs of the Future|PubChem Reference Collection|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|Small Molecule Screening Facility, UW Madison|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|Structural Genomics Consortium|SureChEMBL|Synblock Inc|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thermo Fisher Scientific|Thieme Chemistry|Thomson Pharma|TimTec|Tocris Bioscience|Tox21|ToxPlanet|Tractus|TripleBond|Uchem Meditech|UCLA Molecular Screening Shared Resource|University of Iowa High-Throughput Screening Core (UIHTS)|University of Kansas High Throughput Screening Laboratory|University of Pittsburgh Molecular Library Screening Center|Vanderbilt Specialized Chemistry Center|VladaChem|VWR, Part of Avantor|Wikidata|Wiley|Wubei-Biochem|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|Zoeller Lab, School of Medicine, Boston University
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents|C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist|D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents|D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists|R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists|C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator|R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists|D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
5281037
Eprosartan
Eprosartan|133040-01-4|Teveten|SK&F 108566|SK&F-108566|(E)-2-Butyl-1-(p-carboxybenzyl)-alpha-2-thenylimidazole-5-acrylic acid|(E)-4-((2-Butyl-5-(2-carboxy-3-(thiophen-2-yl)prop-1-en-1-yl)-1H-imidazol-1-yl)methyl)benzoic acid|CHEMBL813|SK-108566|2KH13Z0S0Y|CHEBI:4814|(E)-3-[2-n-butyl-1-{(4-carboxyphenyl)methyl}-1H-imidazol-5-yl]-2-(2-thienyl)methyl-2-propenoic acid|(E)-alpha{[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazole-5-yl]methylene}-2-thiopheneproprionic acid|4-({2-butyl-5-[(1E)-2-carboxy-3-(2-thienyl)prop-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid|4-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid|4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid|[3H]eprosartan|[3H]-eprosartan|4-({2-butyl-5-[(1E)-2-carboxy-2-(thiophen-2-ylmethyl)eth-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid|Teveten; SK&F108566|NCGC00164557-01|Eprosartan (USAN/INN)|UNII-2KH13Z0S0Y|Eprozar|Eprosartan [USAN:INN:BAN]|SR-05000001450|HSDB 7521|(E)-4-((2-butyl-5-(2-carboxy-3-(thiophen-2-yl)prop-1-enyl)-1H-imidazol-1-yl)methyl)benzoic acid|[3H]SK&F 108566|EPROSARTAN [MI]|EPROSARTAN [INN]|EPROSARTAN [HSDB]|EPROSARTAN [USAN]|EPROSARTAN [VANDF]|SCHEMBL4025|EPROSARTAN [WHO-DD]|GTPL588|BIDD:GT0030|GTPL3940|DTXSID0022989|CHEBI:94094|4-[[2-butyl-5-(2-carboxy-3-thiophen-2-ylprop-1-enyl)-1-imidazolyl]methyl]benzoic acid|BCPP000239|HMS2089O10|2-Thiophenepropanoic acid, alpha-[[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazol-5-yl]methylene]-, (alphaE)-|BCP02353|BDBM50011977|STK618317|AKOS005552473|BCP9000656|DB00876|SKB 108566|NCGC00164557-06|NCGC00164557-11|NCGC00164557-13|1ST10510|2-Thiophenepropanoic acid, alpha-((2-butyl-1-((4-carboxyphenyl)methyl)-lH-imidazol-5-yl)methylene)-, (E)-|4-({2-butyl-5-[(1E)-2-carboxy-3-(thiophen-2-yl)prop-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid|BS-20679|HY-117743|CS-0067582|NS00000388|C07467|D04040|AB01275448-01|AB01275448_02|EN300-7397751|L000248|Q784717|J-006289|SR-05000001450-1|BRD-K67977190-066-01-5|(E)-2-BUTYL-1-(P-CARBOXYBENZYL)-.ALPHA.-2-THENYLIMIDAZOLE-5-ACRYLIC ACID|(alphaE)-alpha-[[2-Butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazol-5-yl]methylene]-2-thiophenepropanoic Acid|(E)-alpha-[[2-Butyl-1-[(4-carboxyphenyl)-methyl]-1H-imidazol-5-yl]methylene]-2-thiophene Propanoic Acid|(E)-alpha-[[2-butyl-1-[(4carboxyphenyl)methyl]-1H-imidazol-5-yl]methylene]-2-thiophene propanoic acid|2-THIOPHENEPROPANOIC ACID, .ALPHA.-((2-BUTYL-1-((4-CARBOXYPHENYL)METHYL)-LH-IMIDAZOL-5-YL)METHYLENE)-, (E)-|4-({2-butyl-5-[(1E)-2-carboxy-2-[(thiophen-2-yl)methyl]eth-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid
424.500
C23H24N2O4S
121.000
618.000
4.500
30
2
6
10
InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+
CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\CC3=CC=CS3)/C(=O)O
CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O
OROAFUQRIXKEMV-LDADJPATSA-N
4-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid
424.146
424.146
0
1
0
0
0
0
1
1
0
905
24585
4577
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
880|1195|1469|1471|1479|1487|1490|1688|1766|1768|2063|2528|2546|2551|2662|23918|27037|27862|29138|37697|37701|37819|37820|38126|38128|39050|39361|39513|39652|39791|58635|62403|166941|166943|166944|182790|182791|182944|183461|183596|183608|190642|196519|236277|237099|237841|237981|239885|243379|247113|320852|425652|425653|444050|444051|444052|444053|444054|444055|444056|444057|444058|485290|492961|504327|504332|504749|504832|504834|504847|504865|540209|540210|540211|540212|540213|568875|568876|568877|568878|588209|588210|588220|588579|602332|624030|624031|624032|624044|624170|624172|624173|624296|624297|624349|625279|625280|625281|625282|625283|625284|625285|625286|625287|625288|625289|625290|625291|625292|651828|720641|720717|1073308|1159387|1216814|1224863|1224905|1259310|1259374|1259397|1259398|1259416|1259421|1259422|1259423|1296008|1296009|1345084|1346986|1346987|1346995|1347055|1347080|1347159|1347160|1347384|1409605|1443980|1473738|1473739|1473740|1473741|1474166|1474167|1479145|1479147|1479149|1479150|1508586|1508602|1508620|1645843|1645845|1645846|1645851|1645870|1645876|1645877|1671188|1671193|1745853|1745854|1745855|1845191|1845192|1918969|1918990
20050624
001Chemical|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|A2Z Chemical|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbovChem LLC|Acesobio|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|Adooq BioScience|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AKos Consulting & Solutions|Alfa Chemistry|Alomone Labs|Amadis Chemical|Ambeed|Ambinter|AN PharmaTech|AOBIOUS INC|ApexBio Technology|Apexmol|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|AvaChem Scientific|BenchChem|BePharm Ltd.|Bic Biotech|BIDD|BindingDB|BioChemPartner|BioCrick|Biosynth|BLD Pharm|BOC Sciences|Broad Institute|Burnham Center for Chemical Genomics|Center for Chemical Genomics, University of Michigan|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|ChemMol|ChemShuttle|ChemSpider|Chiralblock Biosciences|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|Founder Pharma|Glentham Life Sciences Ltd.|GLIDA, GPCR-Ligand Database|Google Patents|Hangzhou Trylead Chemical Technology|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|Innovapharm|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|LabNetwork, a WuXi AppTec Company|Lan Pharmatech|LeadScope|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Molepedia|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NextBio|NextMove Software|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|OChem|OXCHEM CORPORATION|Parchem|PATENTSCOPE (WIPO)|Pi Chemicals|Probes & Drugs portal|Prous Science Drugs of the Future|PubChem Reference Collection|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|SLING Consortium|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|SureChEMBL|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Tocris Bioscience|Tox21|ToxPlanet|UCSC Chemical Screening Center|University of Kansas High Throughput Screening Laboratory|Vitas-M Laboratory|Wikidata|Wiley|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC|Zoeller Lab, School of Medicine, Boston University
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09C - Angiotensin ii receptor blockers (arbs), plain > C09CA - Angiotensin ii receptor blockers (arbs), plain|D057911 - Angiotensin Receptor Antagonists > D057912 - Angiotensin II Type 2 Receptor Blockers|D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents|C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C66930 - Angiotensin II Receptor Antagonist|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
10281
Thymoquinone
Thymoquinone|490-91-5|Thymoquinon|p-Cymene-2,5-dione|2-Isopropyl-5-methyl-1,4-benzoquinone|p-Mentha-3,6-diene-2,5-dione|2,5-CYCLOHEXADIENE-1,4-DIONE, 2-METHYL-5-(1-METHYLETHYL)-|2-Isopropyl-5-methylbenzoquinone|2-Isopropyl-5-methylcyclohexa-2,5-diene-1,4-dione|2-Isopropyl-5-methyl-p-benzoquinone|2-Isopropyl-5-methylbenzo-1,4-quinone|5-Isopropyl-2-methyl-1,4-benzoquinone|2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione|NSC 2228|2-Methyl-5-isopropyl-p-benzoquinone|CCRIS 7152|NSC-2228|EINECS 207-721-1|O60IE26NUF|2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione|BRN 1939047|AI3-17758|NSC2228|2,5-Cyclohexadiene-1,4-dione, 5-isopropyl-2-methyl-|UNII-O60IE26NUF|2-Methyl-5-isopropyl-1,4-benzoquinone|2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione|CHEBI:113532|5-Isopropyl-2-methyl-p-benzoquinone|5-Isopropyl-2-methyl-2,5-Cyclohexadiene-1,4-dione|MFCD00001602|thymolquinone|Thymoil|4hco|p-Mentha-3,5-dione|Spectrum_001237|SpecPlus_000457|Thymoquinone, >=98%|Spectrum2_000700|Spectrum3_001345|Spectrum4_001895|Spectrum5_000550|BSPBio_003129|KBioGR_002455|KBioSS_001717|DivK1c_006553|SCHEMBL542535|THYMOQUINONE [WHO-DD]|SPBio_000859|CHEMBL1672002|DTXSID9060079|KBio1_001497|KBio2_001717|KBio2_004285|KBio2_006853|KBio3_002349|Thymoquinone, analytical standard|2-Methyl-5-iso-propylbenzoquinone|BDBM166686|BCP16946|HY-D0803|WLN: L6V DVJ B1 EY1&1|2,4-dione, 5-isopropyl-2-methyl-|CCG-40027|s4761|AKOS003368628|NCGC00178250-01|NCGC00178250-05|AS-11327|p-Mentha-3,6-diene-2,5-dione (8CI)|2-Isopropyl-5-methylbenzo-1,4-quinone #|2,4-dione, 2-methyl-5-(1-methylethyl)-|CS-0012226|NS00031853|T0795|EN300-264364|T72517|A827656|SR-05000002192|Q7799650|SR-05000002192-2|W-202869|BRD-K97566842-001-03-5|Thymoquinone; 2-isopropyl-5-methylbenzo-1,4-quinone|Z1255372388|2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione (F8)|2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione, 9CI|ethyl 2-hydroxy-5-[[2-(trifluoromethyl)phenyl]carbamoyl]benzoate;Thymoquinon|InChI=1/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H
164.200
C10H12O2
34.100
293.000
2.000
12
0
2
1
InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3
CC1=CC(=O)C(=CC1=O)C(C)C
CC1=CC(=O)C(=CC1=O)C(C)C
KEQHJBNSCLWCAE-UHFFFAOYSA-N
2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
164.084
164.084
0
1
0
0
0
0
0
0
0
2204
1355
584
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
16
155|157|161|165|167|175|256|328|330|576630|576631|576632|576633|576634|576635|697852|697853|977599|977602|977608|1067093|1079960|1079961|1079962|1091064|1091065|1091066|1091067|1091068|1091069|1091070|1091071|1091072|1091073|1091074|1091075|1091076|1091077|1091078|1091079|1091080|1091081|1091082|1091083|1091084|1091085|1091086|1091087|1091091|1091092|1091094|1091095|1091096|1091116|1091122|1091123|1091124|1091125|1091127|1091128|1091129|1091130|1091131|1159550|1159580|1159607|1181939|1190321|1190322|1190323|1190324|1190325|1190326|1259310|1259374|1259389|1259407|1259416|1259421|1259422|1288823|1288824|1288825|1288826|1345086|1346986|1346987|1347055|1355621|1355622|1355623|1355625|1367202|1367203|1374695|1374696|1374703|1374704|1374917|1374918|1374919|1374920|1374921|1374922|1374927|1374928|1409605|1409606|1498470|1498471|1498472|1498473|1508478|1508479|1508480|1508602|1508626|1645870|1645876|1645877|1671498|1699028|1745853|1794731|1794732|1794733|1794735|1794736|1794738|1794739|1794740|1794742|1794745|1794746|1794748|1794750|1794751|1794752|1794753|1794754|1794755|1794756|1794757|1794758|1794759|1794760|1794761|1794763|1794764|1794766|1794767|1794768|1794769|1794771|1794772|1794773|1794774|1794775|1794776|1794777|1794778|1794779|1794780|1794781|1794782|1794783|1794784|1794785|1794786|1794787|1794788|1794789|1794790|1794792|1794793|1794794|1794795|1794796|1794798|1794799|1794800|1801388|1845191|1858865
20050326
001Chemical|10X CHEM|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|Acadechem|Achemtek|Acorn PharmaTech Product List|Activate Scientific|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Amadis Chemical|Ambeed|Angene Chemical|Anward|Ark Pharm, Inc.|AstaTech, Inc.|Aurum Pharmatech LLC|BenchChem|BePharm Ltd.|Bic Biotech|BindingDB|BioChemPartner|Biosynth|BLD Pharm|BOC Sciences|Broad Institute|CCSbase|Center for Chemical Genomics, University of Michigan|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemDB|Chemenu Inc.|ChemExper Chemical Directory|Chemical Carcinogenesis Research Information System (CCRIS)|chemical genetic matrix|Chemical Synthesis Database|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemSpider|ChemTik|Chen Lab, School of Medicine, Emory University|Clearsynth|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|CSNpharm|CymitQuimica|DAOGE BIOPHARMA|DC Chemicals|DiscoveryGate|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Frinton Laboratories|Glentham Life Sciences Ltd.|Google Patents|Guri Giaever, Pharmaceutical Sciences, University of British Columbia|Hairui Chemical|Human Metabolome Database (HMDB)|IBM|iChemical Technology USA Inc|ISpharm|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|Key Organics/BIONET|LabNetwork, a WuXi AppTec Company|LeadScope|LEAPCHEM|LGC Standards|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|MolCore|Molecule Market|MolPort|MP Biomedicals|MTDP|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Science Technologies Ltd|NextBio|NextMove Software|NIAID ChemDB|NIST Chemistry WebBook|NIST Mass Spectrometry Data Center|NMRShiftDB|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|ORST SMALL MOLECULE SCREENING CENTER|OXCHEM CORPORATION|PATENTSCOPE (WIPO)|Pi Chemicals|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|PubChem Reference Collection|R&D Chemicals|RR Scientific|Santa Cruz Biotechnology, Inc.|Sarchem Laboratories, Inc.|SCRIPDB|Selleck Chemicals|Shanghai Institute of Organic Chemistry|Sigma-Aldrich|Sinfoo Biotech|Small Molecule Screening Facility, UW Madison|Smolecule|Springer Nature|Starshine Chemical|SureChEMBL|SynQuest Laboratories|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Thieme Chemistry|Thomson Pharma|TimTec|ToxPlanet|Tractus|University of Iowa High-Throughput Screening Core (UIHTS)|University of Kansas High Throughput Screening Laboratory|VladaChem|Wikidata|Wiley|Wubei-Biochem|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
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COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from DrugBank
5281426
Umbelliferone
Umbelliferone|7-hydroxycoumarin|93-35-6|7-Hydroxy-2H-chromen-2-one|Hydrangin|Skimmetin|7-hydroxycoumarine|Hydrangine|Skimmetine|7-Oxycoumarin|Umbelliferon|2H-1-Benzopyran-2-one, 7-hydroxy-|7-hydroxy coumarin|7-Hydroxy-2H-1-benzopyran-2-one|beta-Umbelliferone|Coumarin, 7-hydroxy-|7-hydroxychromen-2-one|7 HC|7-hydroxy-coumarin|NSC 19790|7-hydroxy-1-benzopyran-2-one|CCRIS 3591|EINECS 202-240-3|UNII-60Z60NTL4G|MFCD00006878|2-Hydroxy-7H-chromen-7-one|BRN 0127683|60Z60NTL4G|32922-68-2|CHEBI:27510|AI3-38054|7 OH COUMARIN|NSC19790|NSC-19790|CHEMBL51628|7-HC|DTXSID5052626|5-18-01-00386 (Beilstein Handbook Reference)|7-oxidanylchromen-2-one|7-hydroxycumarin|7-hydroxycoumarin, 14C-labeled|Dichrin A|7-hydroxycournarin|beta -umbelliferone|07L|7-hydroxy-coumarine|.beta.-Umbelliferone|Umbelliferone, 99%|AURAPTENE_met001|7-Hydroxy-2-chromenone|Coumarin derivative, 3a|Spectrum2_001962|Spectrum3_000751|7-hydroxy-chromen-2-one|7-hydroxycoumarin sulphate|UMBELLIFERONE [MI]|7-Hydroxy Coumarin ,(S)|BIDD:PXR0126|SCHEMBL22018|BSPBio_002362|SPECTRUM231084|MLS002207035|BIDD:ER0671|SPBio_002083|UMBELLIFERONE [WHO-DD]|MEGxp0_000814|DTXCID9031199|ACon1_000219|KBio3_001582|7-Hydroxy-2H-chromen-2-one #|Umbelliferone, analytical standard|HMS1607M21|HMS2271N09|HMS3741M03|CS-D1186|HY-N0573|STR04824|BBL027620|BDBM50174558|CCG-39436|s3675|STK331042|Umbelliferone (Hydrangin, Skimmetin)|AKOS000120867|NSC-019790|SDCCGMLS-0066941.P001|7-Hydroxycoumarin;Hydrangin;NSC 19790|NCGC00095801-01|NCGC00095801-02|NCGC00095801-03|NCGC00095801-07|NCGC00178691-01|NCGC00178691-02|1ST11436|AC-18399|AC-34707|NCI60_001646|SMR000112324|SY001924|DB-014673|H0236|NS00001324|EN300-18075|Umbelliferone, Vetec(TM) reagent grade, 98%|C09315|U-3000|A801734|A844525|Q416196|BRD-K87991767-001-02-0|BRD-K87991767-001-03-8|Z57150899|F0722-0129|Umbelliferone, suitable for fluorescence indicator, >=98.0% (HPLC)|InChI=1/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10|Umbelliferone; 7-Hydroxy-2H-1-benzopyran-2-one; 7-Oxycoumarin; Hydrangin; Skimmetin|142044-47-1
162.140
C9H6O3
46.500
222.000
1.600
12
1
3
0
InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
C1=CC(=CC2=C1C=CC(=O)O2)O
C1=CC(=CC2=C1C=CC(=O)O2)O
ORHBXUUXSCNDEV-UHFFFAOYSA-N
7-hydroxychromen-2-one
162.032
162.032
0
1
0
0
0
0
0
0
0
3315
61938
14828
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
16
1|3|5|9|13|15|19|21|23|25|29|31|33|35|37|39|41|43|45|47|49|53|55|59|65|67|71|73|77|79|81|83|85|87|89|91|93|95|97|99|101|103|105|107|109|113|119|123|125|129|131|133|137|139|141|143|145|155|157|161|165|167|175|179|256|344|608|875|880|881|884|885|887|889|892|893|894|900|902|910|923|924|927|930|940|995|1030|1033|1379|1422|1452|1454|1457|1458|1460|1463|1467|1468|1469|1476|1478|1479|1487|1490|1519|1549|1552|1637|1648|1766|1768|1865|1948|2101|2107|2112|2147|2240|2241|2275|2313|2322|2330|2451|2472|2517|2528|2546|2549|2551|75720|144377|174708|207916|213600|216186|255039|256238|256359|256452|256453|256454|256455|256456|256457|256458|256459|256460|256461|256462|256463|256464|256490|256502|256503|256506|294445|309363|317243|332867|334650|334651|336478|348892|348893|355880|360659|373105|376057|376058|376059|376063|376064|376065|392741|392742|392743|392744|392745|392746|392748|392749|395316|399960|399961|399962|399963|400826|400827|400828|434959|485281|485290|485350|485395|488839|488862|488895|488896|488899|488965|488966|492953|492956|492967|492972|493005|493008|493033|493087|493091|493098|493131|493160|493187|493244|493454|493455|493456|493457|504326|504327|504329|504339|504357|504411|504414|504423|504441|504444|504454|504462|504490|504523|504558|504577|504582|504621|504634|504648|504690|504692|504700|504707|504720|504734|504766|504770|504775|504803|504845|504847|504865|504884|504891|504894|504937|516862|516863|516864|516865|516866|539679|539680|539681|539682|540253|540263|540267|540295|540299|540303|540308|540317|540336|540364|553153|553154|553155|553156|588334|588335|588352|588354|588358|588405|588413|588436|588453|588456|588458|588473|588475|588478|588489|588492|588493|588497|588499|588501|588519|588549|588579|588590|588591|588621|588664|588674|588689|588692|588726|588727|588795|588814|588819|588832|588850|588852|588855|588856|598386|599330|599331|599332|599333|599334|599335|599336|599337|602123|602141|602162|602163|602179|602229|602233|602244|602247|602248|602250|602252|602261|602274|602281|602310|602313|602329|602332|602340|602342|602346|602363|602393|602396|602399|602405|602410|602429|602438|602440|602449|602481|607593|607594|607595|607596|607597|607598|607600|607601|613464|613465|613466|613467|613470|613471|613472|613473|613474|622339|622344|623870|623877|623901|624037|624038|624040|624101|624125|624126|624127|624137|624151|624156|624168|624169|624170|624171|624172|624173|624178|624202|624204|624246|624256|624260|624263|624267|624268|624288|624291|624296|624297|624304|624330|624352|624354|624377|624416|624417|624418|624463|624464|624465|624466|624467|624483|624606|624607|624608|624611|624613|624614|624616|637774|637775|641823|641824|641825|641826|651548|651550|651560|651572|651602|651635|651636|651640|651644|651647|651654|651658|651661|651687|651699|651702|651704|651710|651711|651718|651719|651723|651724|651725|651768|651800|651819|651820|651821|651957|651958|651965|651999|652010|652017|652025|652039|652048|652051|652054|652067|652104|652105|652106|652126|652162|652163|652197|652257|683688|683689|686940|686949|686952|686964|686970|686971|686978|686979|686996|687014|687016|687404|687405|687406|687407|687409|687410|687412|687414|687416|687417|687419|687420|687423|687425|687426|687429|687430|687431|687432|687433|687434|687435|687436|687441|687442|687443|687444|720504|720508|720509|720511|720532|720533|720542|720543|720551|720553|720579|720580|720582|720596|720641|720648|720700|720702|720704|720707|720708|720709|720711|720717|743126|743255|743266|743269|743279|743314|743317|743398|754034|754041|754042|754043|758224|758230|758235|758236|758237|977599|977602|1053175|1053197|1100653|1100654|1102095|1102098|1102103|1102110|1102112|1105454|1105455|1105456|1105457|1105458|1105459|1105460|1105461|1138893|1138894|1159396|1159399|1159524|1159550|1159580|1159606|1163510|1163511|1213489|1213501|1213502|1213503|1213504|1213505|1213506|1213507|1213508|1213509|1218610|1218611|1218612|1218613|1218614|1224865|1224905|1252288|1252289|1252292|1259309|1259311|1259313|1259318|1259343|1259389|1259398|1259399|1259409|1259415|1259423|1265003|1265014|1272365|1274831|1274832|1274833|1274834|1326357|1327470|1332531|1332532|1332533|1332534|1345086|1346200|1346378|1347041|1347056|1347071|1347075|1347076|1347120|1347131|1347383|1347658|1347660|1347661|1347662|1347663|1347664|1347665|1348311|1348312|1348313|1348314|1349248|1349249|1349250|1349251|1349252|1349253|1359331|1359333|1359334|1376901|1376904|1385468|1385469|1385470|1385471|1385472|1385473|1417094|1417122|1417124|1417130|1451411|1451412|1451413|1451414|1451415|1451416|1451417|1451418|1451419|1451420|1488614|1488615|1488616|1488617|1488618|1508601|1541419|1541420|1563157|1563158|1563159|1563160|1563161|1563162|1563163|1563164|1589934|1640020|1645758|1645838|1645882|1645883|1645886|1645887|1665944|1665945|1665946|1665947|1665948|1665949|1671190|1671463|1677485|1677486|1689278|1693051|1701173|1706382|1745845|1760262|1794756|1794769|1794796|1794836|1794837|1794838|1794839|1794840|1794841|1799899|1874968|1874969|1874970|1874971|1874972|1874973|1874974|1893725|1893727|1899617|1899618|1918969|1919971|1919972|1919973|1919974|1919975|1919976|1919977|1919978|1920058|1920059|1920060|1920061|1920062
20040916
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|4C Pharma Scientific Inc|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|Adooq BioScience|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Alichem|Alinda Chemical|Alsachim|Amadis Chemical|Ambeed|Ambinter|AN PharmaTech|Angel Pharmatech Ltd.|Angene Chemical|Anward|ApexBio Technology|Aribo Reagent|Ark Pharm, Inc.|Ark Pharma Scientific Limited|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|AvaChem Scientific|BenchChem|BePharm Ltd.|BerrChemical|Bic Biotech|BIDD|BindingDB|Biocore|BioCrick|BioCyc|Biopharma PEG Scientific Inc|Biopurify Phytochemicals|Biosynce Pharmatech|Biosynth|BLD Pharm|BOC Sciences|Broad Institute|Burnham Center for Chemical Genomics|CAPOT|CCSbase|Center for Chemical Genomics, University of Michigan|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemDB|ChemDiv|Chemenu Inc.|ChemExper Chemical Directory|ChemFaces|Chemhere|Chemical Carcinogenesis Research Information System (CCRIS)|chemical genetic matrix|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|Chemodex Ltd.|ChemShuttle|ChemSpider|ChemTik|Chen Lab, School of Medicine, Emory University|Clinivex|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|CSNpharm|CymitQuimica|DC Chemicals|Debye Scientific Co., Ltd|DiscoveryGate|DSL Chemicals|DTP/NCI|EDASA Scientific|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Emory University Molecular Libraries Screening Center|Enamine|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|EvitaChem|Eximed Laboratory|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fisher Drug Discovery Resource Center|Founder Pharma|Glentham Life Sciences Ltd.|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Hairui Chemical|Hangzhou APIChem Technology|Hangzhou Trylead Chemical Technology|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|Innovapharm|ISpharm|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LeadScope|LEAPCHEM|LGC Standards|Life Chemicals|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|MLSMR|MolCore|Molecule Market|Molepedia|MolPort|MP Biomedicals|MTDP|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Chemical Biology|Nature Chemistry|Nature Synthesis|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIST Chemistry WebBook|NIST Mass Spectrometry Data Center|NMRShiftDB|NORMAN Suspect List Exchange|Novartis Institutes for BioMedical Research|NovoSeek|Oakwood Products|ORST SMALL MOLECULE SCREENING CENTER|OXCHEM CORPORATION|Parchem|PATENTSCOPE (WIPO)|Phion Ltd|Pi Chemicals|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Prous Science Drugs of the Future|PubChem Reference Collection|R&D Chemicals|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|Sinfoo Biotech|SLING Consortium|Small Molecule Screening Facility, UW Madison|Smolecule|Springer Nature|SpringerMaterials|Starshine Chemical|SureChEMBL|Syntech Labs|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|Tetrahedron Scientific Inc|THE BioTek|Therapeutic Target Database (TTD)|Thermo Fisher Scientific|Thieme Chemistry|Thomson Pharma|Thoreauchem|TimTec|ToxPlanet|Tractus|University of Iowa High-Throughput Screening Core (UIHTS)|University of Kansas High Throughput Screening Laboratory|VanderVen Lab, College of Veterinary Medicine, Cornell University|Vitas-M Laboratory|VladaChem|VWR, Part of Avantor|Wikidata|WikiPathways|Wiley|Wilshire Technologies|Win-Win Chemical|Wubei-Biochem|Wutech|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC|Zoeller Lab, School of Medicine, Boston University
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COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from PDB, Protein Data Bank
43672
Piperacillin
piperacillin|61477-96-1|Pipracil|Piperacillin anhydrous|Piperacilline|Piperacillin [INN]|PIPC|Piperacillina|PIPERACILLIN SODIUM|Piperacillin hydrate|Piperacillin (INN)|CHEBI:8232|(2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|CHEMBL702|9I628532GX|(2S,5R,6R)-6-[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|Pipercillin|4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[[(2R)-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-|6beta-{(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylic acid|Peperacillin|Piperacilina|Piperacillinum|Peracin|Pipracil, Piper|(2S,5R,6R)-6-((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|Peracin (TN)|CCRIS 7362|59703-84-3|EINECS 262-811-8|Piperacilina [INN-Spanish]|Piperacilline [INN-French]|Piperacillinum [INN-Latin]|1-carboxamido)-2-phenylacetamido)-3,3-dimethyl-|UNII-9I628532GX|Pipracil,(S)|Prestwick0_000755|Prestwick1_000755|Prestwick2_000755|Prestwick3_000755|PIPERACILLIN [MI]|PIPERACILLIN [JAN]|Epitope ID:116652|6-(D-(-)-alpha-(4-Ethyl-2,3-dioxo-1-piperazinecarboxamido)phenylacetamido)penicillanic acid|SCHEMBL33894|BSPBio_000770|PIPERACILLIN [MART.]|(2S,5R,6R)-6-[[(2R)-[[(4-ETHYL-2,3-DIOXO-1-PIPERAZINYL)CARBONYL]AMINO]PHENYLACETYL]AMINO]-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID|(2S-(2alpha,5alpha,6beta(S*)))-6-(((((4-Ethyl-2,3-dioxopiperazin-1-yl)carbonyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid|BIDD:GT0167|PIPERACILLIN [WHO-DD]|PIPERACILLIN, ANHYDROUS|SPBio_002709|BPBio1_000848|DTXSID2023482|GTPL10921|HMS2090H19|HY-B1923|Tazocin (piperacillin + tazobactam)|BDBM50240426|MFCD00865043|AKOS016007827|DB00319|(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)phenylacetyl)amino)-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-|4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta(S*)))-|AS-13671|CS-0013978|NS00009682|D08380|AB01275515-01|EN300-6733491|A868701|Q423787|Piperacillin, Antibiotic for Culture Media Use Only|W-105153|BRD-K86873305-236-03-0|Z2587996977|(2S,5R,6R)-6-((R)-2-(4-ethyl-2,3-dioxopiperazine-|(2S,5R,6R)-6-((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid|(2S,5R,6R)-6-[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-|4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-|WPP
517.600
C23H27N5O7S
182.000
982.000
0.500
36
3
8
6
InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1
CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O
CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O
IVBHGBMCVLDMKU-GXNBUGAJSA-N
(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
517.163
517.163
0
1
0
4
4
0
0
0
0
3904
44519
16861
2D+3D
Piperacillin
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
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
20050624
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemtek|Acorn PharmaTech Product List|Activate Scientific|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alsachim|Amadis Chemical|AmicBase - Antimicrobial Activities|AN PharmaTech|Angene Chemical|Anward|ApexBio Technology|Aribo Reagent|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|AvaChem Scientific|BenchChem|BePharm Ltd.|BIDD|BindingDB|BioCyc|Biosynth|BLD Pharm|BOC Sciences|Broad Institute|C. David Weaver Laboratory, Vanderbilt University|CCSbase|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|Chemical Carcinogenesis Research Information System (CCRIS)|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemSpider|ChemTik|Chen Lab, School of Medicine, Emory University|Chung Lab, Department of Pediatrics, Emory University|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|EvitaChem|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|Fredberg Lab, Harvard T.H. Chan School of Public Health|Glentham Life Sciences Ltd.|Google Patents|Horrigan Lab, Baylor College of Medicine|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|Immune Epitope Database (IEDB)|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|LabNetwork, a WuXi AppTec Company|labseeker|LeadScope|LGC Standards|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Milwaukee Institute for Drug Discovery|MLSMR|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIH Clinical Collection|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|NovoSeek|OChem|OXCHEM CORPORATION|Parchem|PATENTSCOPE (WIPO)|PDSP|Pi Chemicals|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|PubChem Reference Collection|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|SLING Consortium|Small Molecule Screening Facility, UW Madison|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|SureChEMBL|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|ToxPlanet|Tractus|UCLA Molecular Screening Shared Resource|University of Kansas High Throughput Screening Laboratory|Wikidata|Wubei-Biochem|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum|D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams|D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams|D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins|C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
5493444
Aliskiren
Aliskiren|173334-57-1|Rasilez|SPP100|SPP 100|Aliskiren(CGP 60536)|UNII-502FWN4Q32|CGP60536B|HSDB 7843|SPP-100|Aliskiren fumarate|CHEBI:601027|502FWN4Q32|CGP-060536B|CHEMBL1639|(2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide|CGP 60536|DTXSID40891494|(2S,4S,5S,7S)-5-AMINO-N-(2-CARBAMOYL-2-METHYLPROPYL)-4-HYDROXY-2-ISOPROPYL-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-8-METHYLNONANAMIDE|Benzeneoctanamide, delta-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-gamma-hydroxy-4-methoxy-3-(3-methoxypropoxy)-alpha,zeta-bis(1-methylethyl)-, (alphaS,gammaS,deltaS,zetaS)-|Benzeneoctanamide, delta-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-gamma-hydroxy-4-methoxy-3-(3-methoxypropoxy)-alpha,zeta-bis-(1-methylethyl)-, (alphaS,gammaS,deltaS,zetaS)-|5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methylnonanamide fumarate|Aliskiren [INN]|(2S,4S,5S,7S)-5-Amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-8-methylnonanamide|(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-2-(propan-2-yl)nonanamide|NCGC00186464-01|aliskirene|aliskirenum|Aliskireno|CGP 60536;CGP60536B;SPP 100|Aliskiren [USAN:INN:BAN]|(2S,4S,5S,7S)-5-Amino-N-(2-carbamoyl-2-methylpropyl)-4-hydroxy-2-isopropyl-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-8-methylnonamide|(2S,4S,5S,7S)-5-Amino-N-(2-carbamoyl-2-methylpropyl)-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methylnonamide|(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-8-methyl-2-(propan-2-yl)nonanamide|(2S,4S,5S,7S)-5-amino-N-[2-carbamoyl-2-methylpropyl)-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methylnonanamide|Rasilez (TN)|Aliskiren-hemifumarate|ALISKIREN [MI]|Aliskiren (USAN/INN)|ALISKIREN [HSDB]|ALISKIREN [USAN]|ALISKIREN [VANDF]|ALISKIREN [WHO-DD]|ALISKIREN [EMA EPAR]|SCHEMBL455490|GTPL4812|BDBM17950|C09XA02|UXOWGYHJODZGMF-QORCZRPOSA-N|DTXCID401030595|(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide|MFCD09839018|s5767|STL386835|AKOS015852572|AKOS015888741|CS-0443|DB09026|NCGC00186464-02|(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-2-(1-methylethyl)nonanamide|2(S),4(S),5(S),7(S)-N-(2-carbamoyl-2-methylpropyl)-5-amino-4-hydroxy-2,7-diisopropyl-8-(4-methoxy-3-(3-methoxypropoxy)phenyl)octanamid hemifumarate|AS-80517|HY-12176|SBI-0206888.P001|NS00007787|D03208|EN300-708809|AB01274865-01|AB01274865_02|AB01274865_03|Q414904|BRD-K30020243-051-01-7|(2S,4S,5S,7S)-5-Amino-N-(2-carbamoyl)-2-methylpropyl)-4-hydroxy-2-isopropyl-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-8-methylnonamide|(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxo-propyl)-4-hydroxy-2-isopropyl-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-nonanamide|(2s,4s,5s,7s)-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-5-amino-n-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-8-methylnonanamide|1327153-71-8|2(S),4(S),5(S),7(S)-N-(2-carbamoyl-2-methylpropyl)-5-amino-4-hydroxy-2,7-diisopropyl-8-|5(S)-Amino-4(S)-hydroxy-2(S),7(S)-diisopropyl-8-[4-methoxy-3-(3-methoxypropyloxy)-phenyl]-octanoic acid N-(2-carbamoyl-2,2-dimethyl-ethyl)-amide|C41
551.800
C30H53N3O6
146.000
717.000
3.500
39
4
7
19
InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1
CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N
CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N
UXOWGYHJODZGMF-QORCZRPOSA-N
(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
551.393
551.393
0
1
0
4
4
0
0
0
0
2385
8970
1829
2D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
350855|353146|371780|371781|371790|434000|434001|434151|434152|434153|452689|452690|452691|452692|452693|452694|452695|452696|452697|452706|452709|452710|452711|452712|452713|452714|452717|537695|537702|537703|537713|537726|537727|537728|551763|551764|601098|602332|608695|624030|624170|624172|624173|625279|625280|625281|625282|625283|625284|625285|625286|625287|625288|625289|625290|625291|625292|660349|660350|660351|690521|690524|743344|743345|743346|743347|1118627|1118628|1118629|1118630|1159580|1193304|1193323|1193330|1208427|1208428|1208429|1208430|1208431|1208432|1208655|1208656|1208699|1208700|1208701|1208702|1208703|1208704|1208705|1208706|1208707|1208708|1208709|1208710|1208711|1208712|1208713|1208714|1208715|1208716|1208717|1208718|1208719|1208720|1208721|1208722|1208723|1208724|1208725|1208726|1208727|1208728|1208729|1208743|1208744|1208799|1208800|1208801|1208821|1208822|1208823|1208824|1208829|1208830|1208835|1208836|1208856|1208857|1208858|1208859|1208860|1208861|1208865|1208866|1208867|1208868|1208869|1208870|1208874|1208875|1208876|1208877|1208878|1208879|1208883|1208884|1208885|1208886|1208887|1208888|1208892|1208893|1208906|1208913|1208920|1208927|1208934|1224824|1224825|1224857|1224859|1224863|1254906|1254912|1259252|1259253|1259255|1259256|1259318|1259397|1259398|1259416|1259421|1296008|1296009|1320420|1320830|1320833|1345964|1346986|1346987|1347053|1347055|1347060|1347061|1347062|1347063|1347064|1347065|1347066|1347067|1347068|1347082|1347083|1347085|1347086|1347089|1347090|1347091|1347092|1347093|1347094|1347095|1347096|1347097|1347098|1347099|1347100|1347101|1347102|1347103|1347104|1347105|1347106|1347107|1347108|1347154|1347411|1409605|1474166|1474167|1486280|1486281|1486283|1486284|1496142|1496145|1496153|1496154|1496156|1496157|1496158|1496159|1496160|1496161|1496164|1496166|1508620|1508623|1508624|1508630|1640020|1645758|1645845|1645846|1645870|1645876|1645877|1668160|1668161|1668162|1668163|1668164|1671188|1671190|1671193|1671194|1671498|1745845|1797676|1797677|1797725|1799047|1845191|1845192|1886430|1886431|1886434|1886437|1886438|1886439|1886442|1886443|1886444|1886445|1893648|1893650|1893651|1893653|1893654
20050809
001Chemical|10X CHEM|1st Scientific|3WAY PHARM INC|A2B Chem|A2Z Chemical|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|Active Biopharma|Adooq BioScience|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Alichem|Alinda Chemical|Alsachim|Ambeed|Ambinter|AN PharmaTech|Angene Chemical|ApexBio Technology|Apexmol|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|AvaChem Scientific|BenchChem|Bic Biotech|BindingDB|BioCrick|Biosynth|BLD Pharm|BOC Sciences|Broad Institute|Burnham Center for Chemical Genomics|CCSbase|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|Chemenu Inc.|chemical genetic matrix|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|CHIRALEN|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|Elsa Biotechnology|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|EvitaChem|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|Founder Pharma|Glentham Life Sciences Ltd.|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Hefei Hirisun Pharmatech Co., Ltd|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|MLSMR|Molecule Market|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIH/NCATS RNAi|NORMAN Suspect List Exchange|Novartis Institutes for BioMedical Research|NovoSeek|OChem|Parchem|PATENTSCOPE (WIPO)|Phion Ltd|Pi Chemicals|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Prous Science Drugs of the Future|PubChem Reference Collection|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Shanghai Institute of Organic Chemistry|Sigma-Aldrich|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|SureChEMBL|Syntree|TargetMol|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Tocris Bioscience|Tox21|ToxPlanet|Uchem Meditech|UCSC Chemical Screening Center|University of Iowa High-Throughput Screening Core (UIHTS)|University of Kansas High Throughput Screening Laboratory|Vitas-M Laboratory|Wikidata|WikiPathways|Wolves R&D chemical|Wubei-Biochem|Wuhan Atomole Chemicals Co., Ltd.|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09X - Other agents acting on the renin-angiotensin system > C09XA - Renin-inhibitors|C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from WikiPathways
4671
Palmitoylethanolamide
Palmitoylethanolamide|Palmidrol|544-31-0|N-(2-Hydroxyethyl)hexadecanamide|Palmitoyl ethanolamide|Palmitamide MEA|Impulsin|N-(2-Hydroxyethyl)palmitamide|N-palmitoylethanolamine|Hydroxyethylpalmitamide|Palmitic acid monoethanolamide|Loramine P 256|Palmitoyl-EA|palmitylethanolamide|Palmidrolum|HEXADECANAMIDE, N-(2-HYDROXYETHYL)-|Palmidrol [INN]|Monoethanolamine palmitic acid amide|Levagen|Anandamide (16:0)|N-palmitoyl ethanolamine|palmitic monoethanolamide|Palmdrol prodes|N-hexadecanoylethanolamine|Palmitinsaeure-beta-hydroxyethylamid|NSC 23320|hexadecanoyl ethanolamide|MFCD00020562|NSC-23320|N-hexadecanoyl-ethanolamine|N(2-hydroxyethyl)palmitide|6R8T1UDM3V|N(2-hydroxyethyl) palmitide|N-(2-hydroxyethyl)-palmitide|DTXSID4042254|CHEBI:71464|FSD-201|Palmidrol (INN)|AM 3112|NCGC00015793-03|AM 3112;Loramine P 256;Mackpeart DR 14V|DTXCID2022254|MimyX|Palmidrolum [INN-Latin]|CAS-544-31-0|SR-01000076055|EINECS 208-867-9|UNII-6R8T1UDM3V|N-(2-hydroxyethyl) hexadecanamide|PEA (Chemical)|Hexadecanamide,N-(2-hydroxyethyl)-|Anandamide C16:0|Palmitoylethanolamid?e|2-Palmitoylaminoethanol|Palmdrol prodes (TN)|Tocris-0879|n-palmitoyl ethanolamide|N-hexadecyl-ethanolamine|PALMIDROL [MI]|Lopac-P-0359|PALMIDROL [MART.]|Palmityoletanolamide (PEA)|2-PALMITAMIDOETHANOL|PALMIDROL [WHO-DD]|CBiol_002043|Lopac0_000905|BSPBio_001454|KBioGR_000174|KBioSS_000174|MLS002153421|SCHEMBL120518|PALMITAMIDE MEA [INCI]|BML2-B10|CHEMBL417675|GTPL3622|am-3112|Palmidrol|N-palmitoylethanolamine|SCHEMBL19511663|BDBM29083|KBio2_000174|KBio2_002742|KBio2_005310|KBio3_000347|KBio3_000348|Bio1_000329|Bio1_000818|Bio1_001307|Bio2_000174|Bio2_000654|HMS1361I16|HMS1791I16|HMS1989I16|HMS2234L19|HMS3264C10|HMS3266N08|HMS3374K03|HMS3402I16|HMS3411B14|HMS3649L03|HMS3675B14|Pharmakon1600-01506156|BCP29005|CS-D1253|NAE 16:0|NSC23320|Tox21_110222|ANA(16:0)|LMFA08040013|NAE(16:0)|NSC760371|s4708|STL454872|AKOS002676363|Tox21_110222_1|CCG-204987|DB14043|LP00905|NSC-760371|SDCCGSBI-0050880.P002|IDI1_033924|s10398|SCI-110 component palmitoylethanolamide|NCGC00015793-01|NCGC00015793-02|NCGC00015793-04|NCGC00015793-05|NCGC00015793-06|NCGC00015793-07|NCGC00015793-08|NCGC00015793-09|NCGC00015793-10|NCGC00015793-12|NCGC00024840-01|NCGC00024840-02|NCGC00024840-05|NCGC00024840-06|NCGC00024840-07|NCGC00024840-08|NCGC00024840-09|AS-14094|HY-20685|PALMITOYLETHANOLAMIDE [NFLIS-DRUG]|SMR000058371|SY211643|Hexadecanoic acid (2-hydroxy-ethyl)-amide|EU-0100905|NS00013930|P2670|D08328|EN300-311967|P 0359|AB00918319_06|A904411|Q2159860|SR-01000076055-1|SR-01000076055-3|SR-01000076055-7|BRD-K68095457-001-04-4|Z2242151306
299.500
C18H37NO2
49.300
219.000
6.200
21
2
2
16
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)
CCCCCCCCCCCCCCCC(=O)NCCO
CCCCCCCCCCCCCCCC(=O)NCCO
HXYVTAGFYLMHSO-UHFFFAOYSA-N
N-(2-hydroxyethyl)hexadecanamide
299.282
299.282
0
1
0
0
0
0
0
0
0
1541
5275
1722
2D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
16
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20|1159521|1159523|1159524|1159525|1159526|1159527|1159528|1159529|1159531|1159551|1159552|1159553|1159555|1159580|1159583|1159606|1159607|1159614|1189969|1189976|1189977|1189978|1189979|1189980|1189981|1189982|1189983|1224834|1224835|1224836|1224837|1224838|1224839|1224840|1224841|1224842|1224843|1224844|1224845|1224846|1224847|1224848|1224849|1224857|1224859|1224863|1224865|1224867|1224868|1224869|1224870|1224871|1224872|1224873|1224874|1224875|1224876|1224877|1224878|1224879|1224880|1224881|1224882|1224883|1224884|1224885|1224886|1224887|1224888|1224889|1224890|1224892|1224893|1224894|1224895|1224896|1259241|1259242|1259243|1259244|1259247|1259248|1259251|1259309|1259310|1259311|1259313|1259318|1259325|1259344|1259354|1259355|1259356|1259364|1259365|1259366|1259367|1259368|1259369|1259374|1259377|1259378|1259379|1259380|1259381|1259382|1259383|1259384|1259385|1259386|1259387|1259388|1259390|1259391|1259392|1259393|1259394|1259395|1259396|1259398|1259399|1259400|1259401|1259402|1259403|1259404|1259415|1259416|1259421|1259422|1259423|1272365|1296008|1296009|1345070|1345084|1345199|1345261|1345561|1346212|1346378|1346428|1346784|1346795|1346798|1346799|1346824|1346829|1346859|1346877|1346891|1346924|1346977|1346978|1346979|1346980|1346981|1346982|1346986|1346987|1347030|1347031|1347032|1347033|1347034|1347035|1347036|1347037|1347038|1347041|1347045|1347049|1347050|1347053|1347055|1347056|1347071|1347075|1347076|1347079|1347080|1347082|1347083|1347085|1347086|1347089|1347090|1347091|1347092|1347093|1347094|1347095|1347096|1347097|1347098|1347099|1347100|1347101|1347102|1347103|1347104|1347105|1347106|1347107|1347108|1347120|1347131|1347148|1347154|1347166|1347395|1347397|1347398|1347399|1347407|1347418|1347420|1347424|1347425|1347427|1347428|1347429|1347430|1400243|1400244|1409598|1508601|1508602|1508609|1508611|1508614|1508616|1508620|1508623|1508624|1508627|1508628|1508629|1508630|1621005|1621006|1621007|1621008|1621009|1621081|1640020|1645758|1645838|1645839|1645840|1645841|1645842|1645843|1645851|1645870|1645876|1645877|1645882|1645883|1645886|1645887|1671188|1671190|1671193|1671194|1671196|1671197|1671198|1671199|1671200|1671201|1671463|1671498|1745845|1745854|1745855|1745856|1745857|1794732|1794733|1794735|1794736|1794738|1794739|1794740|1794742|1794745|1794746|1794748|1794750|1794751|1794752|1794753|1794754|1794755|1794756|1794757|1794758|1794759|1794760|1794761|1794763|1794764|1794765|1794766|1794767|1794768|1794769|1794771|1794772|1794773|1794774|1794775|1794776|1794778|1794779|1794780|1794782|1794783|1794784|1794785|1794786|1794787|1794788|1794789|1794790|1794792|1794793|1794794|1794795|1794796|1794798|1794799|1794800|1798961|1798962|1918969|1919968|1919969|1919970|1920062|1920063|1920064|1920065|1920067|1920068
20050325
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Ace Therapeutics|Activate Scientific|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alichem|Amadis Chemical|Ambeed|ApexBio Technology|Ark Pharm, Inc.|AstaTech, Inc.|Aurora Fine Chemicals LLC|AvaChem Scientific|Axon Medchem|Baker Lab, Chemistry Department, The University of North Carolina at Chapel Hill|BenchChem|Bic Biotech|BindingDB|BioChemPartner|Biocore|BioCrick|BioCyc|BLD Pharm|BOC Sciences|Broad Institute|Burnham Center for Chemical Genomics|C. David Weaver Laboratory, Vanderbilt University|CCSbase|Center for Chemical Genomics, University of Michigan|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemDB|ChemDiv|Chemenu Inc.|Chemhere|chemical genetic matrix|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|Circadian Research, Kay Laboratory, University of California at San Diego (UCSD)|Clearsynth|Collaborative Drug Discovery, Inc.|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|DrugBank|DrugCentral|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|EMD Millipore|Emory University Molecular Libraries Screening Center|Enamine|EPA DSSTox|EPA Substance Registry Services|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fisher Drug Discovery Resource Center|Glentham Life Sciences Ltd.|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Hairui Chemical|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|Innovapharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|LabNetwork, a WuXi AppTec Company|Lan Pharmatech|LeadScope|LEAPCHEM|LGC Standards|LIPID MAPS|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Milwaukee Institute for Drug Discovery|MLSMR|MolCore|Molecule Market|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Chemical Biology|NextBio|NextMove Software|NIAID ChemDB|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|Novartis Institutes for BioMedical Research|NovoSeek|Oakwood Products|Paczesny and Yang Labs, IUPUI and University of Michigan|PATENTSCOPE (WIPO)|Pi Chemicals|Probes & Drugs portal|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|Sinfoo Biotech|Small Molecule Screening Facility, UW Madison|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|SureChEMBL|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Thoreauchem|Tocris Bioscience|Tox21|ToxPlanet|Tractus|UCLA Molecular Screening Shared Resource|University of Kansas High Throughput Screening Laboratory|University of Pittsburgh Molecular Library Screening Center|Vitas-M Laboratory|WashU High Throughput Screening Center|Wikidata|WikiPathways|Wubei-Biochem|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic|D018501 - Antirheumatic Agents|D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D063385 - Cannabinoid Receptor Modulators|D000890 - Anti-Infective Agents > D000998 - Antiviral Agents|D002491 - Central Nervous System Agents > D000700 - Analgesics|D018377 - Neurotransmitter Agents > D063385 - Cannabinoid Receptor Modulators > D063386 - Cannabinoid Receptor Agonists|D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents|D000893 - Anti-Inflammatory Agents|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
441336
Mometasone Furoate
mometasone furoate|83919-23-7|Asmanex|Nasonex|Danitin|Ecural|Elomet|Elocon|Elocone|Flumeta|Nosorex|Rimelon|Monovo|Ovixan|Sinuva|Asmanex HFA|Sch 32088|Mometasone furoate anhydrous|mometasone 17-furoate|Mometasone fuorate|NSC-746171|UNII-04201GDN4R|LYR210|Sch-32088|DTXSID4023333|CHEBI:47564|LYR-210|04201GDN4R|LAS 41002|NSC-760077|BRN 4340538|CHEMBL1161|DTXCID003333|(11beta,16alpha)-9,21-Dichloro-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methylpregna-1,4-diene-3,20-dione|(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl furan-2-carboxylate|Mometasone furoate [USAN:USP:JAN]|NSC 746171|NSC 760077|DULERA COMPONENT MOMETASONE FUROATE|MOMETASONE FUROATE COMPONENT OF DULERA|Asmanex Twisthaler|9,21-Dichloro-11beta,17-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 17-(2-furoate)|(9beta,10alpha,11alpha,14beta,16alpha,17alpha)-9,21-dichloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl furan-2-carboxylate|9,21-dichloro-11beta-hydroxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-17-yl furan-2-carboxylate|LYR-220 ACTIVE COMPONENT MOMETASONE FUROATE|MOMETASONE FUROATE (MART.)|MOMETASONE FUROATE [MART.]|MOMETASONE FUROATE (USP-RS)|MOMETASONE FUROATE [USP-RS]|Mometasone furoate (USAN:USP:JAN)|MOMETASONE FUROATE (EP MONOGRAPH)|MOMETASONE FUROATE [EP MONOGRAPH]|MOF|MOMETASONE FUROATE (USP MONOGRAPH)|MOMETASONE FUROATE [USP MONOGRAPH]|Furoate, Mometasone|Sch32088|Propel Contour|Propel mini|Childrens Nasonex|mometasone-furoate|NCGC00016950-01|Prestwick_924|Asmanex (TN)|CAS-83919-23-7|Elocon (TN)|Prestwick0_000572|Prestwick1_000572|Prestwick2_000572|Prestwick3_000572|SCHEMBL4568|BSPBio_000384|Mometasone 17-(2-furoate)|NASONEX 24HR ALLERGY|[(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate|MLS002153879|SPBio_002603|Mometasone furoate (JAN/USP)|BPBio1_000424|MOMETASONE FUROATE [MI]|MOMETASONE FUROATE [JAN]|MOMETASONE FUROATE [USAN]|HMS1569D06|HMS2096D06|HMS2235I14|HMS3713D06|MOMETASONE FUROATE [VANDF]|[(9R,10S,11S,13S,16R,17R)-9-Chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate|MOMETASONE FUROATE [WHO-DD]|Tox21_110705|AC-941|BDBM50148733|MFCD00866003|NSC746171|s1987|Mometasone furoate, >=98% (HPLC)|AKOS015994732|Tox21_110705_1|CCG-220572|DB14512|KS-1275|MOMETASONE FUROATE [GREEN BOOK]|MOMETASONE FUROATE [ORANGE BOOK]|NCGC00179578-01|NCGC00179578-03|NCGC00179578-04|HY-13693|SMR001233233|M2354|NS00006918|C07817|D00690|A840685|EN300-19766989|Mometasone Furoate 100 microg/mL in Acetonitrile|SR-01000841209|Q-101380|Q1044248|SR-01000841209-2|BRD-K60640630-001-03-7|BRD-K60640630-001-11-0|Propel Mini Sinus Implant with Straight Delivery System|Mometasone furoate, European Pharmacopoeia (EP) Reference Standard|Mometasone furoate, United States Pharmacopeia (USP) Reference Standard|Mometasone Furoate, Pharmaceutical Secondary Standard; Certified Reference Material|(11.BETA.,16.ALPHA.)-9,21-DICHLORO-17-((2-FURANYLCARBONYL)OXY)-11-HYDROXY-16-METHYLPREGNA-1,4-DIENE-3,20-DIONE|(11beta,16alpha)-9,21-dichloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl furan-2-carboxylate|(1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-chloro-1-(2-chloroacetyl)-10-hydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl furan-2-carboxylate|[(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate;Mometasone furoate|Pregna-1,20-dione, 9,21-dichloro-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-, (11.beta.,16.alpha.)-|PREGNA-1,4-DIENE-3,20-DIONE, 9,21-DICHLORO-17-((2-FURANYLCARBONYL)OXY)-11-HYDROXY-16-METHYL-, (11.BETA.,16.ALPHA.)|Pregna-1,4-diene-3,20-dione, 9,21-dichloro-17-((2-furanylcarbonyl)oxy)-11-hydroxy-16-methyl-, (11beta,16alpha)-
521.400
C27H30Cl2O6
93.800
1020.000
3.900
35
1
6
5
InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)OC(=O)C5=CC=CO5)C)O)Cl)C
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)OC(=O)C5=CC=CO5)C)O)Cl)C
WOFMFGQZHJDGCX-ZULDAHANSA-N
[(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
520.142
520.142
0
1
0
8
8
0
0
0
0
2660
32901
6334
2D+3D
Mometasone Furoate
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
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20050624
001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Amadis Chemical|Ambinter|AN PharmaTech|Angene Chemical|ApexBio Technology|AstaTech, Inc.|Aurora Fine Chemicals LLC|AvaChem Scientific|BenchChem|BindingDB|BioCrick|Biosynth|BOC Sciences|Boerchem|Broad Institute|CD Formulation|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|Chemenu Inc.|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|Collaborative Drug Discovery, Inc.|Comparative Toxicogenomics Database (CTD)|Crystallography Open Database (COD)|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DiscoveryGate|DrugBank|DrugCentral|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|Enamine|eNovation Chemicals|EPA DSSTox|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|Fredberg Lab, Harvard T.H. Chan School of Public Health|Glentham Life Sciences Ltd.|Google Patents|Hangzhou APIChem Technology|Hangzhou Trylead Chemical Technology|Hunan Huateng Pharmaceutical Co., Ltd.|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|MLSMR|Molecule Market|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Chemical Biology|NCBI Structure|NextBio|NextMove Software|NIH/NCATS RNAi|NORMAN Suspect List Exchange|NovoSeek|OChem|PATENTSCOPE (WIPO)|PDSP|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|PubChem Reference Collection|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|SHANDONG OCTAGON CHEMICALS LIMITED|Sigma-Aldrich|Small Molecule Screening Facility, UW Madison|SMID|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|SureChEMBL|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Thieme Chemistry|Thomson Pharma|Tocris Bioscience|Tox21|ToxPlanet|UCLA Molecular Screening Shared Resource|University of Kansas High Throughput Screening Laboratory|VladaChem|Wikidata|Win-Win Chemical|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
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C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone|C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid|D018926 - Anti-Allergic Agents|D003879 - Dermatologic Agents|C29629 - Combination Medication > C29639 - Topical Preparation > C29505 - Topical Corticosteroid|D000893 - Anti-Inflammatory Agents|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
3827
Ketotifen
ketotifen|34580-13-7|Ketotifene|Ketotifeno|Ketotifenum|Zaditor|Ketotifene [INN-French]|Ketotifenum [INN-Latin]|Ketotifeno [INN-Spanish]|HC 20-511|HSDB 7283|EINECS 252-099-7|Ketotifen (INN)|BRN 3983897|4,9-Dihydro-4-(1-methyl-4-piperidinylidene)-10H-benzo(4,5)cyclohepta(1,2-b)thiophen-10-one|DTXSID7023190|UNII-X49220T18G|HC 20511 fumarate|CHEMBL534|X49220T18G|4-(1-methylpiperidin-4-ylidene)-4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one|DTXCID203190|2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one|Ketotiphen|Ketotiphene|CHEBI:92511|10H-Benzo(4,5)cyclohepta(1,2-b)thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-|10H-Benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-|NCGC00015580-08|HC-20511|KETOTIFEN [INN]|Ketotifene (INN-French)|Ketotifenum (INN-Latin)|Ketotifen [INN:BAN]|Ketotifeno (INN-Spanish)|10-(1-methylpiperidin-4-ylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one|4,9-dihydro-4-(1-methyl-4-piperidinylidene)-10h-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one|Ketotifene fumarate|Ketotifin|MLS002222254|Alaway (TN)|CAS-34580-13-7|SMR001307257|10-(1-methyl-4-piperidinylidene)-5H-benzo(1,2)cyclohepta(3,4-b)thiophen-4-one|10-(1-methyl-4-piperidinylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one|(R)-Ketotifen|4-(1-methylpiperidin-4-ylidene)-4,9-dihydro-10H-benzo(4,5)cyclohepta(1,2-b)thiophen-10-one|4,9-Dihydro-4-(1-methyl-4-piperidylidene)-10H-benzo(4,5)-cyclohepta(1,2-b)thiophen-10-one|Spectrum_000426|Tocris-0784|KETOTIFEN [MI]|KETOTIFEN [HSDB]|Prestwick0_000371|Prestwick1_000371|Prestwick2_000371|Prestwick3_000371|Spectrum2_001198|Spectrum3_001382|Spectrum4_000805|Spectrum5_001395|KETOTIFEN [VANDF]|Lopac-K-2628|4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thia-benzo[f]azulen-10-one|KETOTIFEN [WHO-DD]|SCHEMBL4436|4-(1-Methyl-4-piperidylidene)-9-hydrobenzo[a]thiopheno[3,2-d][7]annulen-10-one|Lopac0_000706|Oprea1_335550|Oprea1_553550|BSPBio_000521|BSPBio_002964|KBioGR_001289|KBioSS_000906|BIDD:GT0509|DivK1c_000111|SPBio_001275|SPBio_002442|BPBio1_000575|GTPL7206|BDBM94597|cid_5282408|KBio1_000111|KBio2_000906|KBio2_003474|KBio2_006042|KBio3_002184|R06AX17|S01GX08|cid_45479747|NINDS_000111|GLXC-25233|HMS2090F16|US9138431, KETOTIFEN|US9333199, KETOTIFEN|HY-B0157|Tox21_110176|BDBM50002087|STK048448|AKOS000541268|Tox21_110176_1|CCG-204791|DB00920|SDCCGSBI-0050684.P005|IDI1_000111|NCGC00015580-01|NCGC00015580-02|NCGC00015580-03|NCGC00015580-04|NCGC00015580-05|NCGC00015580-06|NCGC00015580-07|NCGC00015580-09|NCGC00015580-10|NCGC00015580-11|NCGC00015580-13|NCGC00015580-23|NCGC00022572-02|NCGC00022572-04|NCGC00022572-05|10H-Benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-, (2E)-2-butenedioate (1:1)|AC-15945|SBI-0050684.P004|CAS-34580-14-8|AB00053575|CS-0013637|NS00009685|D08105|F97963|AB00053575-21|AB00053575_22|AB00053575_23|A918910|EN300-18530986|L000753|SR-01000000175|Q2458673|SR-01000000175-7|BRD-K28936863-051-05-8|BRD-K28936863-051-18-1|4,9-dihydro-4-(1-methyl-4-piperidinylidene)-10H-benzo|KETOTIFEN HYDROGEN FUMARATE IMPURITY E [EP IMPURITY]|10-(1-methyl-4-piperidylidene)-5H-benzo[[?]:[?]]cyclohepta[[?]]thiophen-4-one|10-(1-methyl-4-piperidylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one;maleate|4,9-Dihydro-4-(1-methyl-4-piperidylidene)-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one|4-(1-methyl-4-piperidylidene)-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-10(9H)-one|4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thia-benzo[f]azulen-10-one(Ketotifen)|(Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one|(Z)-but-2-enedioate;10-(1-methylpiperidin-4-ylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one|116655-76-6|2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.0,3,7]tetradeca-1(10),3(7),4,11,13-pentaen-8-one|2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3(7),4,11,13-pentaen-8-one|4,9-DIHYDRO-4-(1-METHYL-4-PIPERIDINYLIDENE)-10H-BENZO(4,5)CYCLOHEPTA(1,2-B)-THIOPEN-10-ONE|4-(1-Methyl-4-piperidinylidene)-4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one #|4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thia-benzo[f]azulen-10-one(Ketotifen hydrogen malate)
309.400
C19H19NOS
48.600
476.000
3.200
22
0
3
0
InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1
CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1
ZCVMWBYGMWKGHF-UHFFFAOYSA-N
2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
309.119
309.119
0
1
0
0
0
0
0
0
0
3027
29332
6512
2D+3D
Ketotifen
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
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924|1346977|1346978|1346979|1346980|1346981|1346982|1346986|1346987|1347030|1347031|1347032|1347033|1347034|1347035|1347036|1347037|1347038|1347045|1347049|1347050|1347053|1347055|1347060|1347061|1347062|1347063|1347064|1347065|1347066|1347067|1347068|1347079|1347080|1347082|1347083|1347085|1347086|1347089|1347090|1347091|1347092|1347093|1347094|1347095|1347096|1347097|1347098|1347099|1347100|1347101|1347102|1347103|1347104|1347105|1347106|1347107|1347108|1347131|1347154|1347166|1347384|1347395|1347397|1347398|1347399|1347407|1347411|1347418|1347420|1347424|1347425|1347427|1347428|1347429|1347430|1449628|1479145|1479147|1479149|1479150|1508586|1508616|1508620|1508623|1508624|1508627|1508628|1508629|1508630|1645839|1645840|1645841|1645842|1645843|1645845|1645846|1645851|1645870|1645876|1645877|1645882|1645883|1645886|1645887|1671188|1671190|1671193|1671194|1671196|1671197|1671198|1671199|1671200|1671201|1671498|1745845|1745856|1745857|1801656|1801657|1802772|1802773|1802944|1802951|1803039|1828256|1828257|1828258|1828259|1845191|1845192|1918969|1918990|1919968|1919969|1919970|1920063|1920064|1920065|1920067|1920068
20050325
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbovChem LLC|Achemtek|Acmec Biochemical|Activate Scientific|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Amadis Chemical|Ambeed|AN PharmaTech|Angel Pharmatech Ltd.|Angene Chemical|ApexBio Technology|Ark Pharm, Inc.|ASINEX|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|BenchChem|Bic Biotech|BIDD|BindingDB|BioChemPartner|BioCrick|Biosynth|BLD Pharm|BOC Sciences|Broad Institute|Burnham Center for Chemical Genomics|C. David Weaver Laboratory, Vanderbilt University|CCSbase|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemDB|chemical genetic matrix|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|Chen Lab, School of Medicine, Emory University|CHIRALEN|Chung Lab, Department of Pediatrics, Emory University|Circadian Research, Kay Laboratory, University of California at San Diego (UCSD)|Clearsynth|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|Crystallography Open Database (COD)|CSNpharm|CymitQuimica|DC Chemicals|Debye Scientific Co., Ltd|DiscoveryGate|DrugBank|DrugCentral|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Emory University Molecular Libraries Screening Center|Enamine|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|EvitaChem|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fredberg Lab, Harvard T.H. Chan School of Public Health|Glentham Life Sciences Ltd.|GLIDA, GPCR-Ligand Database|Glixx Labs Inc|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Hairui Chemical|Hangzhou APIChem Technology|Horrigan Lab, Baylor College of Medicine|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|Innovapharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|Lan Pharmatech|LeadScope|LEAPCHEM|LGC Standards|Macsen Labs|MassBank of North America (MoNA)|Mcule|MedChemexpress MCE|Meiler Lab, Vanderbilt University|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Milwaukee Institute for Drug Discovery|MLSMR|MolCore|Molecule Market|MolPort|MP Biomedicals|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NextBio|NextMove Software|NIAID ChemDB|NIH Clinical Collection|NIH/NCATS RNAi|NINDS Approved Drug Screening Program|NIST Chemistry WebBook|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|NovoSeek|OChem|ORST SMALL MOLECULE SCREENING CENTER|Paczesny and Yang Labs, IUPUI and University of Michigan|Parchem|PATENTSCOPE (WIPO)|PDSP|Phion Ltd|Pi Chemicals|Probes & Drugs portal|Prous Science Drugs of the Future|PubChem Reference Collection|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Shanghai Mathcon Pharmaceutical Co.,LTD.|Sigma-Aldrich|Small Molecule Screening Facility, UW Madison|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|SureChEMBL|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thermo Fisher Scientific|Thieme Chemistry|Thomson Pharma|TimTec|Tocris Bioscience|Tox21|ToxPlanet|Uchem Meditech|UCLA Molecular Screening Shared Resource|UCSC Chemical Screening Center|University of Iowa High-Throughput Screening Core (UIHTS)|University of Kansas High Throughput Screening Laboratory|University of Pittsburgh Molecular Library Screening Center|Vitas-M Laboratory|VladaChem|Wikidata|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC|Zoeller Lab, School of Medicine, Boston University
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics|D018926 - Anti-Allergic Agents|C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist|D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists|R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use|D003879 - Dermatologic Agents > D000982 - Antipruritics|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
637517
Elaidic Acid
Elaidic acid|112-79-8|trans-Oleic acid|trans-9-Octadecenoic acid|(E)-octadec-9-enoic acid|9-octadecenoic acid|(E)-Oleic acid|9-Octadecenoic acid, (E)-|9-octadecenoic acid, (9E)-|trans-Elaidic acid|trans-Octadec-9-enoic acid|(9E)-octadec-9-enoic acid|Elaidinsaeure|Elaidinsaure|acide elaidique|Elaidinic acid|(9E)-Octadecenoic acid|9-trans-Octadecenoic acid|Octadec-9-enoic acid|(E)-9-Octadecenoic acid|9-elaidic acid|trans-.DELTA.9-Octadecenoic acid|D9-trans-Octadecenoic acid|trans-D9-Octadecenoic acid|EINECS 204-006-6|NSC 26988|trans-delta(sup 9)-Octadecenoic acid|9E-octadecenoic acid|CHEBI:27997|AI3-15840|trans-Delta(9)-octadecenoic acid|UNII-4837010H8C|MFCD00063954|NSC-26988|9-TRANS-OLEIC ACID|Delta(9)-octadecenoic acid|CHEMBL460657|OLEIC-13C18 ACID|4837010H8C|NSC26988|OLEIC ACID (9,10-D2)|C18:1 N-9T|C18:1, n-9|trans-.delta.(sup 9)-Octadecenoic acid|18:1, n-9|9-octadecenoicacid|9-Octadecenoic acid,(9E)-|cis 9 Octadecenoic Acid|delta9-Octadecenoic acid|Delta(9)-octadecenoate|oleic_acid|1lfo|287100-82-7|5711-29-5|EINECS 217-977-6|9-octadecaenoic Acid|1fe3|Elaidic acid, ?99%|bmse000643|ELAIDIC ACID [MI]|Octadec-9-enoic acid anion|SCHEMBL1139|SCHEMBL6693|WLN: QV8U9-T|trans-delta9-Octadecenoic acid|Fatty Acid 18:1 n-9 trans|DTXSID8058619|CHEBI:36021|Elaidic acid, analytical standard|HMS3649H19|Elaidic acid, >=99.0% (GC)|BDBM50250904|CCG-35462|LMFA01030073|s3357|STL282737|Elaidic acid, analytical sample grade|AKOS000278123|DB04224|FS-4659|NCGC00344330-02|NCGC00344330-03|AC-33773|LS-14685|HY-113016|CS-0059361|CS-0368443|NS00070410|O0010|EN300-19543|C01712|D78470|EN300-1697685|A905948|L001099|Q413491|SR-01000946663|J-002839|Q-201508|SR-01000946663-1|D89C6CAA-1C31-4C71-BD3B-EA155A22E10C|Benzenebutanoic acid, 2-methyl-.alpha.,.gamma.-dioxo-, ethyl ester|InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9
282.500
C18H34O2
37.300
234.000
6.500
20
1
2
15
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
CCCCCCCC/C=C/CCCCCCCC(=O)O
CCCCCCCCC=CCCCCCCCC(=O)O
ZQPPMHVWECSIRJ-MDZDMXLPSA-N
(E)-octadec-9-enoic acid
282.256
282.256
0
1
0
0
0
0
1
1
0
2295
414362
146590
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
16
155|157|161|165|167|175|1811|32788|361445|977611|1159978|1259325|1259374|1347080|1479145|1479147|1479149|1479150|1508601|1508602|1519391|1519392|1519393|1519394|1519395|1519396|1519397|1519398|1519399|1621005|1621012|1621057|1621058|1621059|1621060|1621061|1621063|1621064|1621065|1621081|1640020|1645758|1645838|1645845|1645846|1794836|1794837|1794838|1794839|1794840|1794841|1845191|1845192|1918969|1919971|1919972|1919973|1919974|1919975|1919976|1919977|1919978|1920058|1920059|1920060|1920061
20040916
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|Acadechem|Aceschem Inc|Achemtek|Acmec Biochemical|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Alichem|Amadis Chemical|Ambeed|Ambinter|AN PharmaTech|Aribo Reagent|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|BenchChem|BindingDB|BioCyc|Biological Magnetic Resonance Data Bank (BMRB)|Biosynth|BLD Pharm|BOC Sciences|C. David Weaver Laboratory, Vanderbilt University|CCSbase|Center for Chemical Genomics, University of Michigan|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|Chemenu Inc.|Chemical Synthesis Database|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|ChemMol|ChemSpider|CHIRALEN|Collaborative Drug Discovery, Inc.|Combi-Blocks|Crystallography Open Database (COD)|CymitQuimica|DiscoveryGate|DrugBank|DTP/NCI|EAWAG Biocatalysis/Biodegradation Database|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Enamine|eNovation Chemicals|enviPath|EPA DSSTox|EPA Substance Registry Services|EvitaChem|FDA Global Substance Registration System (GSRS)|Glentham Life Sciences Ltd.|GLIDA, GPCR-Ligand Database|Golm Metabolome Database (GMD), Max Planck Institute of Molecular Plant Physiology|Google Patents|Hangzhou APIChem Technology|Human Metabolome Database (HMDB)|Hunan Chemfish Pharmaceutical Co., Ltd.|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|ISpharm|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|LabNetwork, a WuXi AppTec Company|LeadScope|LGC Standards|LIPID MAPS|MassBank Europe|MassBank of North America (MoNA)|Mcule|MedChemexpress MCE|Metabolomics Workbench|MolPort|MTDP|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIST Chemistry WebBook|NIST Mass Spectrometry Data Center|NMRShiftDB|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|Parchem|PATENTSCOPE (WIPO)|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|PubChem Reference Collection|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Shanghai Institute of Organic Chemistry|Sigma-Aldrich|Sinfoo Biotech|SMID|Smolecule|Springer Nature|Starshine Chemical|SureChEMBL|Syntech Labs|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Thermo Fisher Scientific|Thieme Chemistry|Thomson Pharma|TimTec|ToxPlanet|Tractus|Vitas-M Laboratory|VWR, Part of Avantor|Wikidata|WikiPathways|Wiley|Wilshire Technologies|Wubei-Biochem|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from PDB, Protein Data Bank
2973
Deferoxamine
deferoxamine|Desferrioxamine B|70-51-9|DESFERRIOXAMINE|Deferoxamin|Deferrioxamine|Deferoxamine B|Deferrioxamine B|Deferoxaminum|Desferin|DFOM|Desferan|Desferex|Desferral|Desferrin|N-Benzoylferrioxamine B|DF B|Desferal|Deferoxamide B|DFOA|Deferoxamina|NSC-527604|Ferrioxamine B, N-benzoyl-|Desferriferrioxamin B|Desferoxamine b|Dfo-b|N1-(5-Aminopentyl)-N1-hydroxy-N4-(5-(N-hydroxy-4-((5-(N-hydroxyacetamido)pentyl)amino)-4-oxobutanamido)pentyl)succinamide|HSDB 3311|desferrioxamine-B|UNII-J06Y7MXW4D|Deferoxaminum [INN-Latin]|Deferoxamina [INN-Spanish]|EINECS 200-738-5|J06Y7MXW4D|Ba 33112|BRN 2514118|CHEBI:4356|NSC527604|Butanediamide, N'-(5-((4-((5-(acetylhydroxyamino)pentyl)amino)-1,4-dioxobutyl)hydroxyamino)pentyl)-N-(5-aminopentyl)-N-hydroxy-|3,9,14,20,25-Pentaazatriacontane-2,10,13,21,24-pentone, 30-amino-3,14,25-trihydroxy-|30-Amino-3,14,25-trihydroxy-3,9,14,20,25-pentaazatriacontane-2,10,13,21,24-pentaone|N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide|DTXSID7022887|Ba-33112|EC 200-738-5|1-Amino-6,17-dihydroxy-7,10,18,21-tetraoxo-27-(N-acetyl hydroxylamino)-6,11,17,22-tetraazaheptaeicosane|Deferoxamine (USAN)|N'-(5-((4-((5-(Acetylhydroxamino)pentyl)amino)-1,4-dioxobutyl) hydroxyamino)pentyl)-N-(5-aminopentyl)-N-hydroxybutanediamide|N-(5-(3-((5-Aminopentyl)hydroxycarbamoyl)propionamido)pentyl)-3-((5-(N-hydroxyacetamido)pentyl)carbamoyl)propionohydroxamic acid|Propionohydroxamic acid, N-(5-(3-((5-aminopentyl)hydroxycarbamoyl)propionamido)pentyl)-3-((5-(N-hydroxyacetamido)pentyl)carbamoyl)-|Desferal mesylate|DEFEROXAMINE [USAN]|Deferoxaminum (INN-Latin)|Deferoxamina (INN-Spanish)|N-(5-aminopentyl)-N-hydroxy-N'-[5-(N-hydroxy-3-{[5-(N-hydroxyacetamido)pentyl]carbamoyl}propanamido)pentyl]butanediamide|Deferoxamine B; Deferriferrioxamine B; Deferrioxamine|Deferoximine|Desferioximine|Desferroxamine|MLS002702118|Deferoxamine [USAN:INN]|Butanediamide, N'-[5-[[4-[[5-(acetylhydroxyamino)pentyl]amino]-1,4-dioxobutyl]hydroxyamino]pentyl]-N-(5-aminopentyl)-N-hydroxy-|Ba 29837|NSC268993|NSC644468|SMR000058548|Cordaneurin|Desferrioxamin|Perineurin|Desferioxamine B|N'-(5-(acetyl(hydroxy)amino)pentyl)-N-(5-(4-((5-aminopentyl)(hydroxy)amino)-4-oxobutanamido)pentyl)-N-hydroxybutanediamide|N'-{5-[acetyl(hydroxy)amino]pentyl}-N-(5-{4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanamido}pentyl)-N-hydroxybutanediamide|N'-{5-[acetyl(hydroxy)amino]pentyl}-N-[5-({4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoyl}amino)pentyl]-N-hydroxybutanediamide|N-[5-(3-[(5-Aminopentyl)hydroxycarbamoyl]propionamido)pentyl]-3-([5-(N-hydroxyacetamido)pentyl]carbamoyl)propionohydroxamic acid|N-[5-{3-[(5-Aminopentyl)hydroxycarbamoyl]propionamido}pentyl]-3-{[5-(N-hydroxyacetamido)pentyl]carbamoyl}propionohydroxamic acid|Propionohydroxamic acid, N-[5-[3-[(5-aminopentyl)hydroxycarbamoyl]propionamido]pentyl]-3-[[5-(N-hydroxyacetamido)pentyl]carbamoyl]-|deferoxamine-mesylate|DFOB|Desferal (Salt/Mix)|Spectrum_000892|Prestwick0_000725|Prestwick1_000725|Prestwick2_000725|Prestwick3_000725|Spectrum2_001155|Spectrum3_000376|Spectrum4_000311|Spectrum5_000827|DEFEROXAMINE [MI]|DEFEROXAMINE [INN]|CHEMBL556|DEFEROXAMINE [HSDB]|DEFEROXAMINE [VANDF]|SCHEMBL34571|BSPBio_000650|BSPBio_002131|KBioGR_000922|KBioGR_002429|KBioSS_001372|KBioSS_002435|cid_62881|DEFEROXAMINE [WHO-DD]|DivK1c_000082|Ba 29837 (Salt/Mix)|SPBio_001109|SPBio_002589|BPBio1_000716|CGH-749B|DTXCID002887|ICL-749B|BDBM47715|KBio1_000082|KBio2_001372|KBio2_002429|KBio2_003940|KBio2_004997|KBio2_006508|KBio2_007565|KBio3_001351|KBio3_002908|cMAP_000047|NINDS_000082|HMS3604E17|BCP16524|HY-B1625|LMFA08020169|WLN: Z5NQV/2VM5NQV/ 21|DEFEROXAMINE, Deferoxamine Mesylate|AKOS016004824|DB00746|IDI1_000082|SMP2_000121|NCGC00178802-01|NCGC00178802-02|NCGC00178802-03|MS-30181|NCI60_002181|SMR001550278|SBI-0051332.P003|AB00053447|CS-0013559|NS00007870|C06940|D03670|F11488|AB00053447_14|EN300-19748908|Q419618|Q-200933|BRD-K09821361-066-05-0|BRD-K09821361-066-06-8|BRD-K09821361-066-08-4|BRD-K09821361-066-13-4|BRD-K09821361-066-15-9|BRD-K09821361-066-16-7|3,14,20,25-Pentaazatriacontane-2,10,13,21,24-pentone, 30-amino-3,14,25-trihydroxy-|30-Amino-3,25-trihydroxy-3,9,14,20,25-pentaazatriacontane-2,10,13,21,24-pentaone|Butanediamide,4-dioxobutyl]hydroxyamino]pentyl]-N-(5-aminopentyl)-N-hydroxy-|1-amino-6,17-dihydroxy-7,10,18,21-tetraoxo-27-(n-acetylhydroxylamino)-6,11,17,22-tetraazaheptaeicosane|BUTANEDIAMIDE, N'-(5-((4-((5-(ACETYLHYDROXYAMINO)PENTYL)AMINO)-1,4-DIOXOBUTYL)HYDROXYAMINO) PENTYL)-N-(5-AMINOPENTYL)-N-HYDROXY-|N''''-(5-azanylpentyl)-N-[5-[[4-[5-[ethanoyl(oxidanyl)amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentyl]-N''''-oxidanyl-butanediamide;methanesulfonic acid|N'-|N'-(5-((4-((5-(Acetylhydroxyamino)pentyl)amino)-1,4-dioxobutyl)hydroxyamino)pentyl)-N-(5-aminopentyl)-N-hydroxybutanediamide|N'-[5-(acetyl-hydroxy-amino)pentyl]-N-[5-[3-(5-aminopentyl-hydroxy-carbamoyl)propanoylamino]pentyl]-N-hydroxy-butane diamide|N(4)-(5-(acetyl(hydroxy)amino)pentyl)-N(1)-(5-(4-((5-aminopentyl)(hydroxy)amino)-4-oxobutanamido)pentyl)-N(1)-hydroxybutanediamide|N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-1,4-dioxobutyl]-hydroxyamino]pentyl]-N''''-(5-aminopentyl)-N''''-hydroxybutanediamide;methanesulfonic acid|N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-keto-butanoyl]-hydroxy-amino]pentyl]-N''-(5-aminopentyl)-N''-hydroxy-succinamide;mesylic acid|N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N''''-(5-aminopentyl)-N''''-hydroxybutanediamide;methanesulfonic acid|N~1~-(5-(Acetyl(hydroxy)amino)pentyl)-N~4~-(5-((4-((5-aminopentyl)(hydroxy)amino)-4-oxobutanoyl)amino)pentyl)-N~4~-hydroxysuccinamide|N~4~-{5-[acetyl(hydroxy)amino]pentyl}-N~1~-[5-({4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoyl}amino)pentyl]-N~1~-hydroxybutanediamide|PROPIONOHYDROXAMIC ACID, N-(5-(3-((5-AMINOPENTYL)HYDROXYCARBAMOYL)PROPIONAMIDO)PENTYL) -3-((5-(N-HYDROXYACETAMIDO)PENTYL)CARBAMOYL-|Propionohydroxamic acid, N-[5-(3-[(5-aminopentyl)hydroxycarbamoyl]propionamido)phentyl]-3-([5-(N-hydroxyacetamido)pentyl]carbamoyl)-|Propionohydroxamic acid, N-[5-[3-[(5-aminopentyl)hydroxycarbamoyl]propionamido]pentyl]-3-[(5-N-hydroxyacetamido)pentyl]carbamoyl]-
560.700
C25H48N6O8
206.000
739.000
-2.100
39
6
9
23
InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)
CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O
CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O
UBQYURCVBFRUQT-UHFFFAOYSA-N
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide
560.353
560.353
0
1
0
0
0
0
0
0
0
14848
26903
6161
2D
Deferoxamine
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
16
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20050325
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9926791
Tofacitinib
Tofacitinib|477600-75-2|Tasocitinib|3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile|CP-690550|CP 690550|1259404-17-5|rac-Tofacitinib|CP-690,550|Cp-690 free base|tofacitinibum|Tofacitinib (CP-690550,Tasocitinib)|3-((3R,4R)-rel-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile|UNII-87LA6FU830|Tofacitinib [USAN]|CP690550|CHEBI:71200|87LA6FU830|CP-690550 FREE BASE|CP-690,550 FREE BASE|(+)-TOFACITINIB|3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile|CP690,550|CHEMBL221959|CP-690-550|HSDB 8311|DTXSID90197271|racemic-Tasocitinib|477600-75-2 (free base)|Tofacitinib (USAN)|3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile|3-[(3R,4R)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile|3-Piperidinamine, 1-(cyanoacetyl)-4-methyl-N-methyl-N-1H-pyrrolo(2,3-d)pyrimidin-4-yl-, (3R,4R)-|C16H20N6O|MFCD11035919|3-[(3R*,4R*)-4-Methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile|3-{(3R,4R)-4-Methyl-3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amino]-piperidin-1-yl}-3-oxo-propionitrile|Tofacitinib [USAN:INN]|3eyg|3fup|3lxk|4oti|3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile|MI1|TOFACITINIB [MI]|TOFACITINIB [INN]|TOFACITINIB [VANDF]|JAK inhibitors: tofacitinib|TOFACITINIB [WHO-DD]|SCHEMBL322753|Tofacitinib (CP-690550)|GTPL5677|AMY3992|DTXCID00119762|EX-A205|L04AA29|UJLAWZDWDVHWOW-YPMHNXCESA-N|BCPP000274|BDBM50193995|NSC782351|NSC800953|s2789|AKOS005145814|AKOS005258733|AC-8193|BCP9000550|CCG-264998|CS-0050|DB08895|GS-6106|NSC-782351|NSC-800953|NCGC00229511-02|NCGC00229511-04|NCGC00229511-10|NCGC00229511-25|NCGC00244463-01|Tofacitinib (CP-690550, Tasocitinib)|HY-40354|A7301|NS00069315|CP- 690 550|D09970|AB01565786_02|EN300-1718468|AR-270/43507983|J-524314|Q3530324|BRD-K31283835-001-01-9|BRD-K31283835-048-04-4|(3R,4R)-3-{4-Methyl-3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amino]-piperidin-1-yl}-3-oxo-propionitrile|(3R,4R)-4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-beta-oxo-1-piperidine propanenitrile|1-PIPERIDINEPROPANENITRILE, 4-METHYL-3-(METHYL-7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLAMINO)-.BETA.-OXO-, (3R,4R)-|1-PIPERIDINEPROPANENITRILE, 4-METHYL-3-(METHYL-7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLAMINO)-beta-OXO-, (3R,4R)-|3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile citrate|3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-piperidyl]-3-oxo-propanenitrile|3-{(3R,4R)-4-methyl-3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amino]piperidin-1-yl}-3-oxo-propionitrile|3-{(3R,4R)-4-Methyl-3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin4-yl)-amino]-piperidin-1-yl}-3-oxo-propionitrile|3-{4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-piperidinyl}-3-oxopropanenitrile|Tofacitinib;3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile
312.370
C16H20N6O
88.900
488.000
1.500
23
1
5
3
InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N
CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N
UJLAWZDWDVHWOW-YPMHNXCESA-N
3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
312.17
312.17
0
1
0
2
2
0
0
0
0
4800
10111
2389
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
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
20061025
001Chemical|10X CHEM|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|A2Z Chemical|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|AbMole Bioscience|AbovChem LLC|Acesobio|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Product List|Activate Scientific|Active Biopharma|Adooq BioScience|AEchem Scientific Corp., USA|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Allbio Pharm Co., Ltd|Amadis Chemical|Ambeed|Ambinter|Ambit Biosciences|Angene Chemical|Anward|AOBIOUS INC|ApexBio Technology|Apexmol|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|AvaChem Scientific|Axon Medchem|BenchChem|BePharm Ltd.|Bic Biotech|BindingDB|BioChemPartner|BioCrick|Biosynth|BLD Pharm|BOC Sciences|Boerchem|Broad Institute|Cangzhou Enke Pharma Tech Co.,Ltd.|CEGChem|Center for Chemical Genomics, University of Michigan|ChangChem|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|Chemenu Inc.|ChemFaces|ChemFish Tokyo Co., Ltd.|Chemical Probes Portal|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|ChemMol|Chemodex Ltd.|ChemShuttle|ChemSpider|ChemTik|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|CoreSyn|CymitQuimica|DAOGE BIOPHARMA|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|DrugBank|DrugCentral|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|Elsa Biotechnology|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|Excenen Pharmatech|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|Google Patents|Hangzhou APIChem Technology|Hello Bio|Hunan Chemfish Pharmaceutical Co., Ltd.|Hunan Huateng Pharmaceutical Co., Ltd.|IBM|iChemical Technology USA Inc|Innovapharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|J&W PharmLab|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|Lancrix Chemicals|LGC Standards|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|MLSMR|Molecule Market|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIH/NCATS RNAi|NORMAN Suspect List Exchange|Novartis Institutes for BioMedical Research|OChem|OXCHEM CORPORATION|Parchem|PATENTSCOPE (WIPO)|Petrascheck Lab, The Scripps Reserach Institute, Department of Molecular Medicine|Pi Chemicals|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Prous Science Drugs of the Future|PubChem Reference Collection|Race Chemical|RR Scientific|Santagata Laboratory - Brigham and Women's Hospital and Harvard Medical School|SCRIPDB|Selleck Chemicals|SHANDONG OCTAGON CHEMICALS LIMITED|Shanghai Institute of Organic Chemistry|Sigma-Aldrich|Smolecule|Southern Research Institute|Specs|Springer Nature|Starshine Chemical|Suntto Chemical|SureChEMBL|Synthonix, Inc.|Syntree|TargetMol|Tenova Pharmaceuticals Inc|THE BioTek|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Thoreauchem|Tocris Bioscience|ToxPlanet|Tractus|Uchem Meditech|VladaChem|Wikidata|Wiley|Win-Win Chemical|Wubei-Biochem|Wutech|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor|L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants|D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors > D000075242 - Janus Kinase Inhibitors|C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor|C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
4192
Midazolam
midazolam|Dormicum|59467-70-8|Buccolam|Midazolamum|Versed|mezolam|8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine|Midazolamum [INN-Latin]|Midazolam Base|Nayzilam|Midazolam civ|USL261|Ro 21-3981|DEA No. 2884|UNII-R60L0SM5BC|EINECS 261-774-5|R60L0SM5BC|BRN 0625572|CHEBI:6931|USL-261|CHEMBL655|8-Chlor-6-(2-fluorphenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepin|8-Chloro-6-(o-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine|DTXSID5023320|HSDB 6751|Midazolam [USP:INN:BAN:JAN]|USL261 (nasal spray formulation)|4H-Imidazo(1,5-a)(1,4)benzodiazepine, 8-chloro-6-(2-fluorophenyl)-1-methyl-|Midazolamum (INN-Latin)|MIDAZOLAM (MART.)|MIDAZOLAM [MART.]|4H-Imidazo[1,5-a][1,4]benzodiazepine, 8-chloro-6-(2-fluorophenyl)-1-methyl-|8-Chloro-6-(O-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]-benzodiazepine|MIDAZOLAM CIV (USP-RS)|MIDAZOLAM CIV [USP-RS]|MIDAZOLAM (EP MONOGRAPH)|MIDAZOLAM [EP MONOGRAPH]|MIDAZOLAM (USP MONOGRAPH)|Midazolam (USP:INN:BAN:JAN)|MIDAZOLAM [USP MONOGRAPH]|8-chloro-6-(2-fluorophenyl)-1-methyl-4h-imidazo(1,5-a)(1,4)benzodiazepine|4H-IMIDAZO(1,5-A)(1,4)BENZODIAZEPINE, 8-CHLORO-6-(2-FLUOROPHENYL)-1-METHYL|Dormicum (TN)|12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,8,11,13-hexaene|NCGC00168254-01|Medazolam|Buccolam (TN)|Nayzilam (TN)|08J|Midazolamum (Latin)|Versed (Salt/Mix)|Dormonid (Salt/Mix)|Hypnovel (Salt/Mix)|Flormidal (Salt/Mix)|MIDAZOLAM [INN]|MIDAZOLAM [JAN]|MIDAZOLAM [MI]|MIDAZOLAM [VANDF]|MIDAZOLAM [WHO-DD]|Midazolam (JAN/USP/INN)|Midazolam Injection, 10 mg|SCHEMBL35061|BIDD:GT0647|Midazolam hydrochloride, solid|Midazolam, 1mg/ml in Methanol|DTXCID503320|GTPL3342|MIDAZOLAM [ORANGE BOOK]|BDBM21363|N05CD08|Midazolam 0.1 mg/ml in Methanol|Midazolam 1.0 mg/ml in Methanol|BCP21296|HY-B0676|59467-70-8 (free)|Midazolam (1.0 mg/mL in methanol)|AKOS015842580|DB00683|4H-Imidazo[1,5-a][1,4]benzodiazepine, 8-chloro-6-(2-fluoro-phenyl)-1-methyl-, (Z)-2-butenedioate|MIDAZOLAM IN 0.8% SODIUM CHLORIDE|MIDAZOLAM IN 0.9% SODIUM CHLORIDE|DB-015270|NS00000476|C07524|D00550|A832332|Q423071|Midazolam hydrochloride, United States Pharmacopeia (USP) Reference Standard|12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,8,10,12-hexaene
325.800
C18H13ClFN3
30.200
471.000
2.500
23
0
3
1
InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F
CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F
DDLIGBOFAVUZHB-UHFFFAOYSA-N
8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
325.078
325.078
0
1
0
0
0
0
0
0
0
39294
40921
9389
2D+3D
Midazolam
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar
16
1195|1471|1490|1688|1766|1768|2528|2546|2551|2662|7783|8002|19468|20881|21850|21851|21852|21855|21857|21859|26380|27167|28681|29359|29812|39933|41742|54923|150751|150752|150753|150754|150755|150756|187598|187601|187603|187604|298031|298032|311524|373867|395324|395325|395327|411793|425652|425653|444050|444051|444052|444053|444054|444055|444056|444057|444058|455986|467612|467613|492961|504327|504332|504749|504832|504834|504847|504865|520313|539464|539474|540209|540210|540211|540212|540213|540222|540223|540224|540225|540226|540227|540228|540229|540230|540231|540232|540233|577298|577579|588211|588212|588213|588214|588215|588216|588217|588218|588219|588220|588579|589039|600037|600038|600039|600041|600042|600043|600044|600045|600046|600334|600335|600336|602332|603954|611614|624030|624031|624032|624044|624170|624172|624173|624296|624297|624622|624623|624626|624628|624629|625279|625280|625281|625282|625283|625284|625285|625286|625287|625288|625289|625290|625291|625292|648843|648844|648845|648846|648847|648848|648849|648850|648851|648857|648858|648859|678835|679459|679595|679619|679925|680525|681116|681119|681120|681122|681128|681132|681146|681166|688286|688292|699539|699540|699541|715119|715120|715121|732420|760238|760239|1097336|1129361|1159386|1159387|1159388|1159389|1159390|1159391|1159395|1159396|1159607|1189508|1190367|1209244|1209245|1209247|1209248|1209249|1209250|1209251|1209258|1209259|1209581|1209582|1209583|1209593|1211293|1211294|1211295|1211296|1211297|1211298|1215121|1215122|1215125|1215127|1215128|1215671|1215672|1216347|1216348|1216349|1216350|1219215|1219216|1219217|1219218|1219219|1219220|1219221|1219222|1219223|1219224|1219225|1219226|1219227|1219228|1219232|1219233|1219234|1219235|1220241|1221732|1221733|1221735|1221736|1221738|1221739|1222398|1222399|1222400|1222401|1222402|1222403|1222404|1222405|1222406|1222407|1222408|1222409|1222410|1222411|1222412|1222413|1222414|1222415|1222416|1222417|1222793|1259325|1259397|1259398|1259423|1272365|1345993|1346296|1409858|1422306|1422307|1422308|1422309|1422310|1422311|1422312|1422313|1429807|1429808|1443980|1443989|1443991|1443992|1443995|1446381|1446382|1446385|1446386|1446389|1446390|1446393|1446394|1446397|1446398|1446420|1446421|1446764|1446765|1446766|1446767|1457811|1457812|1472101|1472102|1472103|1472620|1472621|1472622|1473738|1473739|1473740|1473741|1473799|1473800|1473801|1474166|1474167|1529088|1529095|1529097|1534316|1534317|1534318|1534319|1602381|1602382|1611225|1611226|1611240|1611241|1611242|1611243|1611244|1611245|1611246|1611247|1652315|1702158|1702159|1702160|1702161|1739201|1739202|1739203|1739204|1739205|1739206|1739207|1739208|1744238|1744239|1744240|1744241|1756359|1756360|1756362|1756363|1769106|1769113|1769114|1769115|1772562|1802994|1862578|1884506|1899994|1900019|1900020|1900021|1900022|1900023|1900024|1900025|1900026|1900027|1920125
20050325
3B Scientific (Wuhan) Corp|3WAY PHARM INC|AbaChemScene|ABI Chem|Acadechem|Acorn PharmaTech Product List|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alsachim|Amadis Chemical|Ambinter|AN PharmaTech|Aurora Fine Chemicals LLC|BenchChem|BIDD|BindingDB|BioChemPartner|BioCyc|C. David Weaver Laboratory, Vanderbilt University|CCSbase|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chembase.cn|ChEMBL|ChemDB|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemSpider|CHIRALEN|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Comparative Toxicogenomics Database (CTD)|Crystallography Open Database (COD)|CymitQuimica|DC Chemicals|Debye Scientific Co., Ltd|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|EPA DSSTox|EPA Substance Registry Services|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|Glentham Life Sciences Ltd.|Google Patents|Hairui Chemical|Hangzhou Trylead Chemical Technology|Horrigan Lab, Baylor College of Medicine|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|IUPHAR/BPS Guide to PHARMACOLOGY|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|labseeker|LeadScope|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|MedChemexpress MCE|Metabolomics Workbench|Milwaukee Institute for Drug Discovery|MLSMR|Molecule Market|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Chemical Biology|NCBI Structure|NextBio|NextMove Software|NIH Clinical Collection|NIST Chemistry WebBook|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|NovoSeek|OChem|Parchem|PATENTSCOPE (WIPO)|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Prous Science Drugs of the Future|PubChem Reference Collection|RR Scientific|SCRIPDB|Sigma-Aldrich|Small Molecule Screening Facility, UW Madison|Springer Nature|Starshine Chemical|SureChEMBL|THE BioTek|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Tocris Bioscience|Tox21|ToxPlanet|Wikidata|Wiley|Wubei-Biochem|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives|D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics|C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent|C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine|D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents|D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents|N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives|D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
92722
Argatroban
argatroban|74863-84-6|Argatroban anhydrous|MCI-9038|MD-805|(2R,4R)-1-((2S)-5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid|Argipidine|GN-1600|Argatroban Injection|CHEMBL1166|OCY3U280Y3|(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid|74863-84-6 (anhydrous)|DK-7419|Argatroban In Sodium Chloride|Argatroban [INN:JAN]|Argatrobanum|Argatrobanum [Latin]|2-Piperidinecarboxylic acid, 1-(5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-|121785-71-5|(2R,4R)-4-methyl-1-(((3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl)-L-arginyl)piperidine-2-carboxylic acid|SMR000466348|SR-05000001529|DTXSID7046467|UNII-OCY3U280Y3|Argatroban?|(2R,4R)-1-[(2S)-5-[(diaminomethylidene)amino]-2-[(3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido]pentanoyl]-4-methylpiperidine-2-carboxylic acid|(2R,4R)-1-((2S)-5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl)-4-methy|ARGATROBAN [MI]|ARGATROBAN [INN]|ARGATROBAN [WHO-DD]|(2R,4R)-4-Methyl-1-((S)-N(sup 2)-(((RS)-1,2,3,4-tetrahydro-3-methyl-8-quinolyl)sulfonyl)arginyl)pipecolic acid|(2R,4R)-4-Methyl-1-[N-[(3-methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]-L-arginyl]-2-piperidinecarboxylic acid|MLS000759461|MLS001424093|MLS006010033|GTPL6385|SCHEMBL1145308|SCHEMBL20567702|CHEBI:94385|HSDB 8488|KXNPVXPOPUZYGB-IOVMHBDKSA-N|HMS2051N07|HMS2090L12|HMS3713D22|BCP06831|EX-A4276|HY-B0375|BDBM50038001|s2069|AKOS015919612|CCG-100933|CCG-207885|DB00278|NC00183|NCGC00166413-01|NCGC00166413-03|(2R,4R)-1-[(2S)-5-carbamimidamido-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl]-4-methylpiperidine-2-carboxylic acid|2-Piperidinecarboxylic acid, 1-((2S)-5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-, (2R,4R)-|AS-14191|SMR004624627|C72625|AB00639932-04|AB01275532-01|AB01275532_02|EN300-19767223|SR-01000759392|J-500992|J-500996|SR-01000759392-4|SR-05000001529-1|SR-05000001529-2|BRD-A48261811-001-08-1|Q27074501|-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid|(2R,4R)-1-((2S)-5-guanidino-2-(3-methyl-1,2,3,4-tetrahydroquinoline|(2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid|(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid|(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methyl-pipe ridine-2-carboxylic acid|(2R,4R)-1-[(2S)-5-(DIAMINOMETHYLIDENEAMINO)-2-[[(3R)-3-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-8-YL]SULFONYLAMINO]PENTANOYL]-4-METHYL-PIPERIDINE-2-CARBOXYLIC ACID|(2R,4R)-1-[(2S)-5-guanidino-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methyl-piperidine-2-carboxylic acid|(2R,4R)-1-[(S)-5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid|(2R,4R)-4-METHYL-1-(N (SUP 2)-((1,2,3,4-TETRAHYDRO-3-METHYL-8-QUINOLYL)SULFONYL)-L-ARGINYL)PIPECOLIC ACID|(2R,4S)-1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid|(2S,4S)-1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid|(S)-1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid|1-[(2R,3S)-5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid|1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid|1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid (Argatroban)|2-PIPERIDINECARBOXYLIC ACID, 1-((2S)-5-((AMINOIMINOMETHYL)AMINO)-1-OXO-2-(((1,2,3,4-TETRAHYDRO-3-METHYL-8-QUINOLINYL)SULFONYL)AMINO)PENTYL)-4-METHYL-, (2R,4R)- ANHYDROUS
508.600
C23H36N6O5S
189.000
887.000
1.300
35
5
8
9
InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1
C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C
CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C
KXNPVXPOPUZYGB-IOVMHBDKSA-N
(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
508.247
508.247
0
1
0
4
3
1
0
0
0
3511
683
215
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
485|631|731|781|782|880|950|951|952|1001|1006|1007|1008|1009|1012|1016|1018|1019|1020|1021|1022|1027|1032|1040|1048|1049|1051|1066|1085|1135|1136|1203|1209|1214|1216|1217|1220|1222|1229|1236|1251|1274|1304|1321|1325|1359|1362|1376|1385|1415|1416|1422|1423|1424|1434|1439|1440|1441|1443|1445|1446|1448|1454|1456|1460|1461|1463|1465|1466|1467|1468|1469|1477|1479|1481|1486|1490|1496|1509|1510|1515|1527|1529|1530|1531|1532|1533|1556|1565|1566|1578|1619|1621|1625|1626|1628|1631|1634|1654|1656|1665|1700|1706|1721|1722|1766|1768|1775|1776|1777|1778|1779|1789|1800|1817|1822|1825|1845|1861|1863|1865|1868|1903|1956|1961|1984|1986|2006|2012|2013|2014|2058|2071|2073|2100|2101|2107|2112|2147|2242|2288|2289|2314|2315|2451|2472|2517|2528|2546|2549|2551|2662|2675|2676|2685|2732|15770|18648|18651|18853|18856|19823|20845|25171|26115|26945|45129|51829|52178|52187|89173|89179|89199|89373|89374|89375|90300|112432|112433|130477|157800|158010|158186|169106|182739|187265|187266|196086|196087|196090|196210|210582|210650|210661|210667|210678|210730|210820|211004|211014|211044|211187|211230|211550|211597|213277|213279|215023|215036|215212|215571|215898|226680|233221|233222|233223|233224|233225|234945|238200|238527|242950|242952|242961|242968|242973|243035|243046|257295|311535|362212|449739|449768|463254|466947|466995|485281|485290|485294|485297|485298|485313|485314|485341|485344|485347|485353|485358|485364|485367|488837|492947|493014|493056|493084|504327|504332|504333|504651|504652|504660|504810|504812|504842|540209|540210|540212|540213|540275|540277|588342|624349|625279|625280|625281|625282|625283|625284|625285|625286|625287|625288|625289|625290|625291|625292|651828|720554|720641|720717|743268|743270|743271|743272|743281|743344|743345|743346|743347|766515|766517|766518|766519|766520|766521|766522|766523|766524|766525|766526|766527|766528|766529|1117319|1159607|1167011|1167012|1167013|1202328|1224824|1224825|1224857|1224859|1224863|1224905|1254403|1259251|1259252|1259253|1259255|1259256|1259310|1259325|1259374|1259389|1259397|1259398|1259406|1259413|1259416|1259421|1259422|1259423|1296008|1296009|1332061|1345816|1346986|1346987|1347053|1347055|1347060|1347061|1347062|1347063|1347064|1347065|1347066|1347067|1347068|1347074|1347080|1347082|1347083|1347085|1347086|1347089|1347090|1347091|1347092|1347093|1347094|1347095|1347096|1347097|1347098|1347099|1347100|1347101|1347102|1347103|1347104|1347105|1347106|1347107|1347108|1347109|1347110|1347111|1347112|1347113|1347114|1347115|1347116|1347117|1347118|1347119|1347121|1347122|1347123|1347124|1347125|1347126|1347127|1347128|1347129|1347154|1347411|1409565|1409566|1409567|1409568|1409569|1409570|1409571|1409594|1409605|1423541|1423542|1423543|1423544|1454782|1454783|1474166|1474167|1508586|1508602|1508620|1508623|1508624|1508630|1640020|1645758|1645843|1645845|1645846|1645870|1645876|1645877|1671188|1671190|1671193|1671194|1671498|1745845|1845191|1845192|1871815|1918969|1918990
20050808
10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Acesobio|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Allbio Pharm Co., Ltd|Alsachim|Ambeed|AN PharmaTech|Angene Chemical|Anward|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurum Pharmatech LLC|AvaChem Scientific|BenchChem|BePharm Ltd.|BerrChemical|BindingDB|BioChemPartner|Biosynth|BLD Pharm|BOC Sciences|Broad Institute|C. David Weaver Laboratory, Vanderbilt University|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|Chemenu Inc.|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|CSNpharm|CymitQuimica|DC Chemicals|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|Excenen Pharmatech|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|Glentham Life Sciences Ltd.|Google Patents|Horrigan Lab, Baylor College of Medicine|Hunan Huateng Pharmaceutical Co., Ltd.|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|Kingston Chemistry|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LeadScope|LGC Standards|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Milwaukee Institute for Drug Discovery|MLSMR|Molecule Market|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NextBio|NextMove Software|NIAID ChemDB|NIH Clinical Collection|NIH/NCATS RNAi|Novartis Institutes for BioMedical Research|NovoSeek|Oakwood Products|OChem|OXCHEM CORPORATION|Parchem|PATENTSCOPE (WIPO)|Petrascheck Lab, The Scripps Reserach Institute, Department of Molecular Medicine|Probes & Drugs portal|Prous Science Drugs of the Future|RR Scientific|SCRIPDB|Selleck Chemicals|Small Molecule Screening Facility, UW Madison|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|SureChEMBL|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Tocris Bioscience|ToxPlanet|Tractus|TripleBond|University of Kansas High Throughput Screening Laboratory|VladaChem|Wikidata|Wiley|Wubei-Biochem|Wuhan Atomole Chemicals Co., Ltd.|Wutech|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D006401 - Hematologic Agents > D000925 - Anticoagulants > D000991 - Antithrombins|D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors|D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors|C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent|B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AE - Direct thrombin inhibitors|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
446157
Rosuvastatin
Rosuvastatin|287714-41-4|Creston|X-Plended|Rosuvastatin calcium|ZD4522|Rosuvastatin [INN]|ZD-4522|UNII-413KH5ZJ73|Rosuvastatin (INN)|CHEBI:38545|HSDB 7317|413KH5ZJ73|CHEMBL1496|6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, (3R,5S,6E)-|DTXSID8048492|ZD 4522|(3R,5S,6E)-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid|(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid|(3R,5S,E)-7-(4-(4-Fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid|6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, (3R,5S,6E)|(3R,5R)-Rosuvastatin|(3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid|(3R,5S,6E)-7-(4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-(METHYL(METHYLSULFONYL)AMINO)PYRIMIDIN-5-YL)-3,5-DIHYDROXYHEPT-6-ENOIC ACID|(3R,5S,6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid|(E)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl](3R,5S)-3,5-dihydroxyhept-6-enoic acid|6-HEPTENOIC ACID, 7-(4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-2-(METHYL(METHYLSULFONYL)AMINO)-5-PYRIMIDINYL)-3,5-DIHYDROXY-, (3R,5S,6E)-|Creston (TN)|Rosuvastatin [INN:BAN]|rosuvastatinum|Rosuvastatina|(3R,5S,6E)-7-(4-(4-fluorophenyl)-2-(methyl(methylsulfonyl)amino)-6-(propan-2-yl)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid|Spectrum5_001695|ROSUVASTATIN [MI]|ROSUVASTATIN [HSDB]|SCHEMBL2520|ROSUVASTATIN [VANDF]|BSPBio_003429|ROSUVASTATIN [WHO-DD]|SCHEMBL154400|SPECTRUM1505213|GTPL2954|BDBM18372|CHEBI:93454|C10AA07|DTXCID90820057|HMS1922N09|CCG-40119|HY-17504A|MFCD18783208|AKOS000280777|AM84890|DB01098|NCGC00178070-01|AC-30585|AS-12247|SBI-0206727.P001|S5072|A24862|D08492|EN300-370268|EN300-20321882|Q415159|BRD-K82941592-001-01-3|BRD-K82941592-238-02-9|(3R,5S)-7-[4-(4-fluorophenyl)-2-(methyl-methylsulfonylamino)-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid|(3R,5S)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid|(3R,5S)-trans-7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid|(3R,5S,6E)-7-[4-(4-Fluorophenyl)-2-[(methanesulfonyl)(methyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid|(E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl](3R,5S)-3,5-dihydroxyhept-6enoic acid|(E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-(3R,5S)-3,5-dihydroxyhept-6-enoic acid|1354641-88-5|7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-(methyl-methylsulfonyl-amino)-pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoic acid;Rosuvastatin;Rosuvastatin Acid|E-(7-{2-(N-methyl-N-methanesulfonylamino)-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-5-yl}-(3R,5S)-3,5-dihydroxy-hept-6-enoic acid]|E-7-[2-(N-methyl-N-methanesulfonylamino)-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-5-yl]-(3R,5S)-3,5-dihydroxyhept-6-enoic acid|FBI
481.500
C22H28FN3O6S
149.000
767.000
1.600
33
3
10
10
InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1
CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
BPRHUIZQVSMCRT-VEUZHWNKSA-N
(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
481.168
481.168
0
1
0
2
2
0
1
1
0
3072
51112
10102
2D+3D
Rosuvastatin Calcium
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
940|1422|238540|238872|241168|241793|300167|300168|300169|300170|300172|308508|308509|308510|308511|308512|309282|309283|309284|309285|309287|312172|312173|312174|312175|312176|312177|312178|312180|313843|313844|313910|313911|313912|313913|313914|313915|313916|313918|339211|339212|339213|339214|339215|339216|384740|384741|384742|384743|384744|384745|384747|384748|384751|384752|384760|385189|385190|385201|385202|385211|425652|425653|444050|444051|444052|444053|444054|444055|444056|444057|444058|485350|493033|503308|504770|540209|540210|540211|540212|540213|540299|558058|558059|558060|588211|588212|588213|588519|589039|589043|599886|599887|599888|599889|599890|599892|599893|599894|599895|599896|599897|600036|600037|600038|600040|600042|600043|600044|600045|600046|600047|600334|600335|600336|600337|600338|600340|600341|600342|602314|624349|625279|625280|625281|625282|625283|625284|625285|625286|625287|625288|625289|625290|625291|625292|697690|697691|697692|697693|699539|699540|699541|720717|1059149|1059150|1059151|1079931|1079932|1079933|1079934|1079935|1079936|1079937|1079938|1079939|1079940|1079941|1079942|1079943|1079944|1079945|1079946|1079947|1079948|1079949|1154659|1159550|1159580|1210299|1210301|1211548|1211549|1211550|1211551|1211552|1211553|1211554|1211555|1212314|1212341|1221732|1221733|1221734|1221735|1221736|1221737|1221738|1221739|1221740|1221853|1221956|1221957|1221958|1221968|1221969|1221970|1221975|1221976|1221977|1221982|1259318|1259389|1259397|1259398|1259416|1259421|1259423|1346200|1346822|1346838|1409594|1409605|1474166|1474167|1480378|1480379|1480380|1480381|1480393|1480397|1508601|1697999|1698000|1698001|1698002|1698003|1698004|1698005|1698006|1698007|1698008|1698009|1698010|1698011|1797730|1797731|1798004|1798163|1801495
20050624
001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acesobio|Achemtek|Acorn PharmaTech Product List|Activate Scientific|Adooq BioScience|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alsachim|Amadis Chemical|Ambeed|Ambinter|AN PharmaTech|Ansion Pharma|ApexBio Technology|Apexmol|AstaTech, Inc.|Aurora Fine Chemicals LLC|AvaChem Scientific|Axon Medchem|BenchChem|BePharm Ltd.|Bic Biotech|BindingDB|BioChemPartner|BioCrick|Biosynth|BLD Pharm|BOC Sciences|Broad Institute|Burnham Center for Chemical Genomics|CCSbase|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|Chemenu Inc.|chemical genetic matrix|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|Chen Lab, School of Medicine, Emory University|CHIRALEN|Clearsynth|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|CreativePeptides|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|Elsa Biotechnology|eMolecules|Emory University Molecular Libraries Screening Center|Enamine|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|Glentham Life Sciences Ltd.|GlyTouCan Project|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Hangzhou APIChem Technology|Hangzhou Trylead Chemical Technology|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|Innovapharm|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|LabNetwork, a WuXi AppTec Company|Lan Pharmatech|LeadScope|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Molepedia|MolPort|National Center for Advancing Translational Sciences (NCATS)|NCBI Structure|NextBio|NextMove Software|NIH Clinical Collection|NORMAN Suspect List Exchange|NovoSeek|OChem|ORST SMALL MOLECULE SCREENING CENTER|OXCHEM CORPORATION|PATENTSCOPE (WIPO)|Phion Ltd|Pi Chemicals|Probes & Drugs portal|Prous Science Drugs of the Future|PubChem Reference Collection|Race Chemical|RR Scientific|SCRIPDB|Selleck Chemicals|SLING Consortium|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|SureChEMBL|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Tocris Bioscience|ToxPlanet|Tractus|Uchem Meditech|University of Iowa High-Throughput Screening Core (UIHTS)|VladaChem|W&J PharmaChem|Wikidata|Win-Win Chemical|Wubei-Biochem|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors|C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent|D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents|C471 - Enzyme Inhibitor > C1655 - HMG-CoA Reductase Inhibitor|D009676 - Noxae > D000963 - Antimetabolites|C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AA - Hmg coa reductase inhibitors|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
13789
Canrenone
CANRENONE|976-71-6|Aldadiene|Phanurane|SC-9376|Spironolactone metabolite m1|DTXSID3045930|78O20X9J0U|Canrenone (USAN)|17-Hydroxy-3-oxo-17alpha-pregna-4,6-diene-21-carboxylic acid gamma-lactone|MFCD00071735|NSC-261713|(8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione|Luvion|CANRENONE [USAN]|NSC 261713|Aldadiene (VAN)|(1'S,2R,2'R,10'R,11'S,15'S)-2',15'-dimethylspiro[oxolane-2,14'-tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane]-6',8'-diene-5,5'-dione|(10R,13S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione|DTXCID1025930|Canrenonum|Canrenona|Canrenone [USAN:INN]|Canrenonum [INN-Latin]|Canrenona [INN-Spanish]|Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, g-lactone,(17a)-|CAS-976-71-6|SMR000539206|11614 R. P.|EINECS 213-554-5|BRN 0046602|Aldadiene;SC9376;SC14266|UNII-78O20X9J0U|11614 R.P|20-Spiroxa-4,6-diene-3,21-dione|NCGC00095148-01|(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-1,8,9,10,11,12,13,14,15,16-decahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione|CANRENONE [INN]|CANRENONE [MI]|17alpha-(2-Carboxyethyl)-17beta-hydroxyandrosta-4,6-dien-3-one lactone|CANRENONE [MART.]|EC 213-554-5|CANRENONE [WHO-DD]|SCHEMBL19560|5-17-11-00476 (Beilstein Handbook Reference)|MLS001163777|MLS001304014|MLS001304154|Canrenone, >=97% (HPLC)|CHEMBL1463345|CHEBI:135445|Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, .gamma.-lactone (17.alpha.)-|HMS2090K21|HMS2870D16|HMS3715A05|BCP10925|HY-B1438|Tox21_111451|(17a)-17-Hydroxy-3-oxopregna-4|BBL010921|s5273|STK801874|AKOS005622473|Tox21_111451_1|6-diene-21-carboxylic acid ?-lactone|AC-1323|CCG-220962|DB12221|17alpha-Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone|Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone (17alpha)-|NCGC00263479-01|NCGC00263479-02|NCGC00263479-06|AS-13160|CS-0013142|NS00010904|D03363|D95826|EN300-123063|SPIRONOLACTONE IMPURITY F [EP IMPURITY]|AB00825212-04|AB00825212-06|SR-01000813823|Q5033475|SR-01000813823-2|17b-Hydroxy-3-oxopregna-4,6-diene-21-carboxylic acid|Z1546624239|Canrenone, European Pharmacopoeia (EP) Reference Standard|17-Hydroxy-3-oxo-17a-pregna-4,6-diene-21-carboxylic acid lactone|17a-(2-Carboxyethyl)-17b-hydroxyandrosta-4,6-dien-3-one lactone|17-Hydroxy-3-oxo-17a-pregna-4,6-diene-21-carboxylic acid g-lactone|3'-(3-Oxo-17b-hydroxyandrosta-4,6-dien-17a-yl)-propionic acid lactone|3-(17b-Hydroxy-3-oxoandrosta-4,6-dien-17a-yl)propionic acid g-lactone|3-(17b-Hydroxy-3-oxoandrosta-4,6-dien-17a-yl)propionic acid lactone|3-(3-Oxo-17b-hydroxy-4,6-androstadien-17a-yl)propionic acid g-lactone|2R)-3,4-DIHYDRO-5H-SPIRO(ANDROST-4,6-DIENE-17,2-FURAN)-3,5-DIONE|3',4'-Dihydrospiro[androst-4,6-diene-17,2'(5'H)-furan]-3,5'-dione (Canrenone)|(1R,3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,7,8,9,9a,9b,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-5',7-dione|(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-1,3',4',8,9,10,11,12,13,14,15,16-dodecahydro-5'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H)-dione
340.500
C22H28O3
43.400
719.000
2.700
25
0
3
0
InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1
C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C
CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC45CCC(=O)O5)C
UJVLDDZCTMKXJK-WNHSNXHDSA-N
(8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
340.204
340.204
0
1
0
6
6
0
0
0
0
364
4569
1021
2D+3D
Canrenone
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar
16
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20050808
001Chemical|10X CHEM|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|Achemtek|Acmec Biochemical|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alsachim|ApexBio Technology|Ark Pharm, Inc.|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurum Pharmatech LLC|BenchChem|BePharm Ltd.|BioChemPartner|CCSbase|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|Chemenu Inc.|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemSpider|Chen Lab, School of Medicine, Emory University|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DiscoveryGate|DrugBank|DrugCentral|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|FDA Global Substance Registration System (GSRS)|Glentham Life Sciences Ltd.|Google Patents|Hangzhou APIChem Technology|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|LabNetwork, a WuXi AppTec Company|labseeker|LeadScope|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|MLSMR|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NextBio|NextMove Software|NORMAN Suspect List Exchange|Novartis Institutes for BioMedical Research|NovoSeek|Oakwood Products|OChem|OXCHEM CORPORATION|Paragos|PATENTSCOPE (WIPO)|Pi Chemicals|Probes & Drugs portal|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sigma-Aldrich|Small Molecule Screening Facility, UW Madison|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|SureChEMBL|TargetMol|THE BioTek|The Scripps Research Institute Molecular Screening Center|Thieme Chemistry|Thomson Pharma|Tocris Bioscience|Tox21|ToxPlanet|University of Kansas High Throughput Screening Laboratory|Vitas-M Laboratory|Wikidata|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000451 - Mineralocorticoid Receptor Antagonists|D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents|D045283 - Natriuretic Agents > D004232 - Diuretics|C - Cardiovascular system > C03 - Diuretics > C03D - Aldosterone antagonists and other potassium-sparing agents > C03DA - Aldosterone antagonists|C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49186 - Potassium-Sparing Diuretic|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
107970
Fingolimod
Fingolimod|162359-55-9|2-Amino-2-(4-octylphenethyl)propane-1,3-diol|2-Amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol|Fingolimod [INN]|2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol|fingolimodum|1,3-Propanediol, 2-amino-2-[2-(4-octylphenyl)ethyl]-|UNII-3QN8BYN5QF|3QN8BYN5QF|CHEBI:63115|1,3-Propanediol, 2-amino-2-(2-(4-octylphenyl)ethyl)-|Gilenya (TN)|2-amino-2-(2-(4-octylphenyl)ethyl)propane-1,3-diol|CHEMBL314854|DTXSID40167363|Fingolimod (INN)|FINGOLIMOD (MART.)|FINGOLIMOD [MART.]|2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propandiol|2-amino-2-(2-(4-octylphenyl)ethyl)-1,3-propanediol|C19H33NO2|Fingolimod- Bio-X|FINGOLIMOD [MI]|FINGOLIMOD [VANDF]|SCHEMBL7445|FINGOLIMOD [WHO-DD]|GTPL2407|DTXCID0089854|FINGOLIMOD [ORANGE BOOK]|L04AA27|HMS3743O13|AMY22173|BCP05969|BDBM50158336|NSC755643|s5950|STL445699|AKOS015999594|DB05286|DB08868|NSC-755643|NCGC00188399-01|NCGC00188399-03|NCGC00188399-04|NCGC00188399-06|NCGC00188399-16|AC-25899|AS-68987|BF164460|HY-11063|DB-064455|NS00016757|2-(4-octylphenethyl)-2-aminopropane-1,3-diol|D10001|D70458|2-amino-2-(4-octylphenyl)ethylpropane-1,3-diol|EN300-18802383|Q425137|2-amino-2-hydroxymethyl-4-(4-(octyl)phenyl)butanol|BRD-K88025533-003-01-7|2-Amino-2-[2-(4-octyl-phenyl)-ethyl]-propane-1,3-diol
307.500
C19H33NO2
66.500
258.000
4.200
22
3
3
12
InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3
CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N
CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N
KKGQTZUTZRNORY-UHFFFAOYSA-N
2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol
307.251
307.251
0
1
0
0
0
0
0
0
0
3037
14244
3068
2D+3D
Fingolimod Hydrochloride
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
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20050808
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7381
4-tert-Butylcatechol
4-tert-Butylcatechol|98-29-3|p-tert-Butylcatechol|4-(tert-butyl)benzene-1,2-diol|4-tert-butylbenzene-1,2-diol|4-tert-Butylpyrocatechol|p-tert-Butyl catechol|4-t-Butylpyrocatechol|p-tert-Butylpyrocatechol|4-T-BUTYLCATECHOL|1,2-Benzenediol, 4-(1,1-dimethylethyl)-|4-tert-Butylcatechin|p-t-Butylpyrocatechol|Pyrocatechol, 4-tert-butyl-|Synox TBC|4-tert-Butyl-1,2-benzenediol|4-TBC|1,2-Dihydroxy-4-tert-butylbenzene|4-tert-Butyl-1,2-dihydroxybenzene|4-tert-Butylpyrokatechin|NSC 5310|DTXSID5024687|NSC-5310|9A069144KR|NCGC00091483-03|DTXCID804687|4-tert-butyl catechol|4-tert-Butyl-pyrocatechol|CAS-98-29-3|CCRIS 3332|4-tert-Butylpyrokatechin [Czech]|EINECS 202-653-9|BRN 2043335|AI3-24363|UNII-9A069144KR|p-tertbutylcatechol|4-tertbutylcatechol|diallyl butanedioate|p-t-butyl catechol|4- t-Butylcatechol|MFCD00002201|4-tert-butylcathechol|p-tert.-butylcatechol|4-(1,1-Dimethylethyl)-1,2-benzenediol|4k7o|4-tert.-butyl-catechol|4-tertiarybutyl catechol|4-tert-butyl pyrocatechol|4-(tert-butyl)pyrocatechol|4-(tertbutyl)-pyrocatechol|4-tert.-butyl pyrocatechol|EC 202-653-9|4-(tert-butyl)-pyrocatechol|SCHEMBL50705|4-t-Butyl-1,2-benzenediol|4-06-00-06014 (Beilstein Handbook Reference)|MLS001065578|BIDD:ER0238|CHEMBL220845|4-(1,1-Dimethylethyl)catechol|BUTYL CATECHOL, P-TERT-|1, 4-(1,1-dimethylethyl)-|NSC5310|4-tert-Butylcatechol, >=99.0%|Tox21_202989|Tox21_400003|BBL011511|STL146627|AKOS000119685|CS-W017861|NCGC00091483-01|NCGC00091483-02|NCGC00091483-04|NCGC00091483-05|NCGC00260534-01|WLN: QR BQ DX1 & 1 & 1|4-tert-Butylcatechol (CAS 98-29-3)|AC-10567|BP-30171|SMR000568493|VS-02966|4-tert-Butylcatechol, >=98.0% (HPLC)|DB-057718|B0739|NS00006528|EN300-19909|D77815|Q840843|4-tert-Butylcatechol, SAJ first grade, >=98.0%|Q-200510|Q-200511|4-tert-Butylcatechol, technical, flakes, >=98% (HPLC)|F1995-0233|Z104476062|4-(1,1-Dimethylethyl)-1,2-benzenediol; 4-tert-Butylpyrocatechol; PTBC; TBC|InChI=1/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H
166.220
C10H14O2
40.500
148.000
2.700
12
2
2
1
InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
CC(C)(C)C1=CC(=C(C=C1)O)O
CC(C)(C)C1=CC(=C(C=C1)O)O
XESZUVZBAMCAEJ-UHFFFAOYSA-N
4-tert-butylbenzene-1,2-diol
166.099
166.099
0
1
0
0
0
0
0
0
0
491
22998
9236
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
16
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03|1259404|1259407|1259410|1259415|1272365|1296008|1296009|1345084|1345199|1346378|1346428|1346784|1346795|1346798|1346799|1346824|1346829|1346859|1346877|1346891|1346924|1346977|1346978|1346979|1346980|1346981|1346982|1346986|1346987|1347030|1347031|1347032|1347033|1347034|1347035|1347036|1347037|1347038|1347041|1347053|1347055|1347056|1347071|1347075|1347076|1347082|1347083|1347085|1347086|1347089|1347090|1347091|1347092|1347093|1347094|1347095|1347096|1347097|1347098|1347099|1347100|1347101|1347102|1347103|1347104|1347105|1347106|1347107|1347108|1347120|1347131|1347154|1347395|1347397|1347398|1347399|1347407|1347424|1347425|1508616|1508620|1508623|1508624|1508627|1508628|1508629|1508630|1645839|1645840|1645841|1645842|1645851|1645870|1645876|1645877|1645882|1645883|1645886|1645887|1671188|1671190|1671193|1671194|1671196|1671197|1671198|1671199|1671200|1671201|1671463|1745845|1745856|1745857|1794731|1794732|1794733|1794735|1794736|1794740|1794742|1794745|1794746|1794748|1794750|1794751|1794752|1794753|1794754|1794755|1794756|1794757|1794758|1794759|1794760|1794761|1794764|1794765|1794766|1794767|1794768|1794769|1794771|1794772|1794773|1794774|1794775|1794776|1794777|1794778|1794779|1794780|1794781|1794782|1794783|1794784|1794785|1794786|1794787|1794788|1794789|1794790|1794792|1794794|1794795|1794796|1794798|1794799|1794800|1919968|1919969|1919970|1920062|1920063|1920064|1920065|1920067|1920068
20050326
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|Acadechem|Achemica|Achemtek|ACT Chemical|Advanced Technology & Industrial Co., Ltd.|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alichem|Amadis Chemical|Ambeed|Ambinter|AN PharmaTech|Angene Chemical|Anward|Ark Pharm, Inc.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|BenchChem|BePharm Ltd.|Bic Biotech|BIDD|Biosynth|BLD Pharm|BOC Sciences|Boerchem|BroadPharm|CAPOT|Chem-Space.com Database|Chembase.cn|ChEMBL|ChemDB|Chemenu Inc.|ChemExper Chemical Directory|Chemical Carcinogenesis Research Information System (CCRIS)|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemSpider|ChemTik|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|Crystallography Open Database (COD)|CymitQuimica|Debye Scientific Co., Ltd|DiscoveryGate|DSL Chemicals|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Enamine|EPA DSSTox|EPA Substance Registry Services|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Founder Pharma|Google Patents|Hairui Chemical|Hangzhou APIChem Technology|Human Metabolome Database (HMDB)|IBM|iChemical Technology USA Inc|ISpharm|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|LeadScope|LEAPCHEM|LGC Standards|Life Chemicals|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MLSMR|MolCore|Moldb|Molecule Market|Molepedia|MolPort|MP Biomedicals|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIST Chemistry WebBook|NIST Mass Spectrometry Data Center|NMRShiftDB|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|OXCHEM CORPORATION|Parchem|PATENTSCOPE (WIPO)|Protein Data Bank in Europe (PDBe)|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Shanghai Institute of Organic Chemistry|Sigma-Aldrich|Sinfoo Biotech|Small Molecule Screening Facility, UW Madison|Smolecule|Springer Nature|Starshine Chemical|SureChEMBL|Syntree|TCI (Tokyo Chemical Industry)|THE BioTek|Thermo Fisher Scientific|Thieme Chemistry|Thomson Pharma|Thoreauchem|TimTec|Tox21|ToxPlanet|Tractus|Vitas-M Laboratory|VladaChem|VWR, Part of Avantor|Wikidata|Wiley|Wubei-Biochem|Wutech|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
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D020011 - Protective Agents > D000975 - Antioxidants|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from PDB, Protein Data Bank
62882
Propranolol Hydrochloride
Propranolol hydrochloride|318-98-9|Propranolol Hcl|Inderal|3506-09-0|Avlocardyl|Caridolol|Inderalici|Dociton|Anaprilin|Apsolol|Beprane|Berkolol|Deralin|Herzbase|Indobloc|Naprilin|Pronovan|Pylapron|Sloprolol|Ikopal|Tesnol|Kemi|Beta Neg|InnoPran XL|Propranolol chloride|Propranovitan|Arcablock|Artensol|Blocaryl|Cardinol|Detensol|Dibudinate|Dumopranol|Efectolol|Farprolol|Hemangeol|Hemipralon|Indermigran|Innopran|Nelderal|Novopranol|Propabloc|Propadex|Propalong|Propayerst|Prophylux|Proprahexal|Propranur|Rapynogen|Sagittol|Scandrug|Tensiflex|Acifol|Angilol|Biocard|Cinlol|Ciplar|Corbeta|Elbrol|Emforal|Frekven|Herzul|Kidoral|Noloten|Obsidan|Oposim|Panolol|Prandol|Pranix|Procor|Propral|Prosin|Sawatol|Sudenol|Tiperal|Nedis|Sinal|Tonum|Half-Inderal|Propranolol.HCl|Prano-Puren|propra vt ct|Inderal La|Proberta LA|Pur-Bloka|NSC-91523|beta-NEG|Inderex|ICI 45520|Propraratiopharm|DL-Propranolol hydrochloride|R+C5989educor|Beta-Tablinen|Beta-Timelets|DL-Anapriline|Propanolol hydrochloride|AY 64043|1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol hydrochloride|propranolol (hydrochloride)|ICI-45520|Servanolol|CCRIS 1105|HSDB 3176|AY-64043|EINECS 206-268-7|d,l-Propranolol hydrochloride|I 2065|UNII-F8A3652H1V|BETACAP|MONOPROLOL|PROPRANOLOL HYDROCHLORIDE (+/-)|DTXSID3021198|(+/-)-Propranolol hydrochloride|Propranolol hydrochloride intensol|F8A3652H1V|EINECS 222-501-5|1-(Isopropylamino)-3-(1-naphthoxy)-propan-2-ol hydrochloride|NSC 91523|CHEBI:8500|DTXCID201198|1-Isopropylamino-3-(1-naphthoxy)-propan-2-ol-hydrochloride|1-(1-Naphthyloxy)-2-hydroxy-3-isopropylaminopropane hydrochloride|1-(Isopropylamino)-3-(alpha-naphthoxy)-2-propanol hydrochloride|(+-)-1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol hydrochloride|(+/-)-Propranolol-(isopropyl-d7) hydrochloride|1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride|hemangiol|NSC91523|RAC-PROPRANOLOL HYDROCHLORIDE|Bedranol|Inderol|Pranolol|2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, hydrochloride|d,l-Propranolol.HCl|PROPRANALOL HYDROCHLORIDE, DL-|Propranolol hydrochloride [USAN:USP:JAN]|1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol hydrochloride|2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, hydrochloride|318-98-9 (HCL)|Inderal hydrochloride|(+/-)-1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL HYDROCHLORIDE|(RS)-1-[(1-Methylethyl)amino]-3-(1-naphthalenyloxy)-2-propanolhydrochloride|[2-hydroxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)amine hydrochloride|2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, hydrochloride, (+-)-|InderalLA|1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol hydrochloride|2-PROPANOL, 1-((1-METHYLETHYL)AMINO)-3-(1-NAPHTHALENYLOXY)-, HYDROCHLORIDE, (+/-)-|1-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol hydrochloride|PROPRANOLOL HYDROCHLORIDE (MART.)|PROPRANOLOL HYDROCHLORIDE [MART.]|PROPRANOLOL HYDROCHLORIDE (USP-RS)|PROPRANOLOL HYDROCHLORIDE [USP-RS]|SMR000059167|Propranolol hydrochloride (USAN:USP:JAN)|PROPRANOLOL HYDROCHLORIDE (EP MONOGRAPH)|PROPRANOLOL HYDROCHLORIDE [EP MONOGRAPH]|PROPRANOLOL HYDROCHLORIDE (USP MONOGRAPH)|PROPRANOLOL HYDROCHLORIDE [USP MONOGRAPH]|SR-01000075285|(R)-Propranolol hydrochloride|(S)-Propranolol (hydrochloride)|Efektolol|Migrastat|Inderal XL|dl-propranolol hcl|Relax-B|Inderal (TN)|Obsidian8135|MFCD00012558|Propranolol HCL ER|Innopran XL (TN)|(R)-(+)-Propanolol hydrochloride|3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol hydrochloride|Propranolol Hyrochloride|Propranolon hydrochloride|1-(Isopropylamino)-3-(1-naphthyloxy)propan-2-ol hydrochloride|Hydrochloride, Propranolol|CAS-318-98-9|Propranolol HydrochlorideER|Propranolol Hydrochloride ER|CHEMBL1671|SCHEMBL41688|(y)-Propranolol hydrochloride|MLS000859628|MLS001055449|MLS001056753|MLS002222321|MLS002548855|(?)-Propranolol hydrochloride|SPECTRUM1505270|Propranolol hydrochloride, 99%|(S)-1-(isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol hydrochloride|(2-Hydroxy-3-(naphthyloxy)propyl)isopropylammonium chloride|HMS1570P06|HMS1571G12|HMS1571I04|HMS1922P19|Pharmakon1600-01505270|BCP15350|BCP16675|EUR-1000|HY-B0573|KDM-1102|Tox21_201886|Tox21_302905|Tox21_500896|CCG-39239|CCG-39447|NCS-91523|NSC758950|s4076|PROPRANOLOL HYDROCHLORIDE [MI]|1-(naphthalen-1-yloxy)-3-[(propan-2-yl)amino]propan-2-ol hydrochloride|AKOS005267141|Propranolol hydrochloride (JP17/USP)|KS-1097|LP00896|NC00687|NSC-758950|PROPRANOLOL HYDROCHLORIDE [JAN]|2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, hydrochloride, (+-)-|PROPRANOLOL HYDROCHLORIDE [HSDB]|PROPRANOLOL HYDROCHLORIDE [USAN]|NCGC00024690-04|NCGC00091932-01|NCGC00094212-01|NCGC00094212-02|NCGC00094212-03|NCGC00094212-04|NCGC00094212-05|NCGC00256554-01|NCGC00259435-01|NCGC00261581-01|PROPRANOLOL HYDROCHLORIDE [VANDF]|d,l-Propranolol.HCl, 1mg/ml in Methanol|PROPRANOLOL HYDROCHLORIDE [WHO-DD]|PROPRANOLOL HYDROCHLORIDE [WHO-IP]|DB-018092|EU-0100896|NS00076256|P0995|SW219414-1|WLN: L66J BO1YQ1MY1 & 1 & GH|EN300-16419|BIM-0050871.0001|D00483|H10708|P 0884|PROPRANOLOL HYDROCHLORIDE [ORANGE BOOK]|PROPRANOLOLI HYDROCHLORIDUM [WHO-IP LATIN]|( inverted question mark)-Propranolol hydrochloride|Q-201632|SR-01000075285-1|SR-01000075285-3|W-109142|Q27108095|Z90121066|(+/-)-Propranolol hydrochloride, >=99% (TLC), powder|(+/-)-Propranolol, Hydrochloride - CAS 3506-09-0|(+/-)-Propranolol hydrochloride, analytical reference material|1-(Isopropylamino)-3-(1-napthyloxy)-2-propanol hydrochloride|Propranolol Hydrochloride 1.0 mg/ml in Methanol (as free base)|(+/-)-[2-Hydroxy-3-(naphthyloxy)propyl]isopropylammonium chloride|(+/-)-1-Isopropylamino-3-(1-naphthyloxy)-2-propanol hydrochloride|1-(1-Naphthyloxy)-2-hydroxy-3-(isopropylamino)propane hydrochloride|1-(1-naphthyloxy)-2-hydroxy-3-isopropylaminopropanehydrochloride|1-(alpha-naphthoxy)-3-(iso-propylamino)-2-propanol hydrochloride|1-(alpha-naphthoxy)-3-(isopropylamino)-2-propanol hydrochloride|1-(Isopropylamino)-3-(.alpha.-naphthoxy)-2-propanol hydrochloride|2-Propanol-1-((1-methylethyl)amino)-3-(1-naphthalenyloxy) Hydrochloride|Propranolol hydrochloride, European Pharmacopoeia (EP) Reference Standard|( inverted question mark)-1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol hydrochloride|(2RS)-1-(1-Methylethyl)amino-3-(naphthalen-1-yloxy)propan-2-ol monohydrochloride|Propranolol hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material|Propranolol hydrochloride, United States Pharmacopeia (USP) Reference Standard|Propranolol hydrochloride for performance test, European Pharmacopoeia (EP) Reference Standard
295.800
C16H22ClNO2
41.500
257.000
null
20
3
3
6
InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H
CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl
CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl
ZMRUPTIKESYGQW-UHFFFAOYSA-N
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
295.134
295.134
0
2
0
1
0
1
0
0
0
34091
11913
3939
2D
Propranolol
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
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20050624
10X CHEM|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemo Scientific Limited|Achemtek|ACT Chemical|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Alinda Chemical|Alsachim|AN PharmaTech|Angene Chemical|Anward|Aronis|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|BenchChem|BePharm Ltd.|Bic Biotech|BioChemPartner|BioCrick|Biosynth|BOC Sciences|Burnham Center for Chemical Genomics|Calbiochem|CAPOT|Carcinogenic Potency Database (CPDB)|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|Chem-Space.com Database|Chembase.cn|ChEMBL|ChemBridge|Chemenu Inc.|ChemExper Chemical Directory|Chemhere|Chemical Carcinogenesis Research Information System (CCRIS)|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|ChemMol|Chemodex Ltd.|ChemShuttle|ChemSpider|ChemTik|Chen Lab, School of Medicine, Emory University|Circadian Research, Kay Laboratory, University of California at San Diego (UCSD)|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Combi-Blocks|Cooke Chemical Co., Ltd|CymitQuimica|Debye Scientific Co., Ltd|DiscoveryGate|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|EMD Millipore|eMolecules|Emory University Molecular Libraries Screening Center|Enamine|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fredberg Lab, Harvard T.H. Chan School of Public Health|Genetic Toxicology Data Bank (GENE-TOX)|Glentham Life Sciences Ltd.|Gulick Lab, Department of Structural Biology, University at Buffalo|Hairui Chemical|Hangzhou Trylead Chemical Technology|HDH Pharma|Horrigan Lab, Baylor College of Medicine|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|ISpharm|J&H Chemical Co.,ltd|Jamson Pharmachem Technology|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LeadScope|LEAPCHEM|LGC Standards|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Milwaukee Institute for Drug Discovery|MLSMR|MolCore|Molecule Market|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NextBio|NextMove Software|Nextpeptide|NIH Clinical Collection|NINDS Approved Drug Screening Program|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|ORST SMALL MOLECULE SCREENING CENTER|OXCHEM CORPORATION|Paczesny and Yang Labs, IUPUI and University of Michigan|PATENTSCOPE (WIPO)|Pi Chemicals|Probes & Drugs portal|Prous Science Drugs of the Future|PubChem Reference Collection|RR Scientific|Santa Cruz Biotechnology, Inc.|Selleck Chemicals|Shanghai Send Pharmaceutical Technology Co., Ltd|Sigma-Aldrich|Smolecule|Springer Nature|SureChEMBL|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Thermo Fisher Scientific|Thomson Pharma|TimTec|Tocris Bioscience|Tox21|ToxPlanet|Tractus|Uchem Meditech|UCLA Molecular Screening Shared Resource|UCSC Chemical Screening Center|University of Iowa High-Throughput Screening Core (UIHTS)|University of Kansas High Throughput Screening Laboratory|University of Pittsburgh Molecular Library Screening Center|VWR, Part of Avantor|Wikidata|Wubei-Biochem|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances
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D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents|D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents|D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents|D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists|C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
9966051
Vortioxetine
VORTIOXETINE|508233-74-7|1-(2-((2,4-Dimethylphenyl)thio)phenyl)piperazine|Lu AA21004|1-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazine|Vortioxetine free base|vortioxetina|vortioxetinum|UNII-3O2K1S3WQV|3O2K1S3WQV|LuAA21004|Lu-AA21004|Vortioxetine [USAN]|1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine|CHEBI:76016|Piperazine, 1-[2-[(2,4-dimethylphenyl)thio]phenyl]-|Vortioxetine (Lu AA21004)|HSDB 8250|508233-74-7 (free base)|Piperazine, 1-(2-((2,4-dimethylphenyl)thio)phenyl)-|Vortioxetine (USAN)|Brintellix (TN)|1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine|1-[2-(2,4-dimethylphenylsulfanyl)phenyl]piperazine|1-[2-(2,4-dimethyl-phenylsulfanyl)-phenyl]-piperazine|CHEMBL2204360|1-(2-((2,4-Dimethylphenyl)sulfanyl)phenyl}piperazine|Vortioxetine [USAN:INN]|Piperazine, 1-[2-[(2,4-dimethylphenyl)thio]phenyl]-; 1-[2-(2,4-Dimethylphenylsulfanyl)phenyl]piperazine; Lu AA 21004; Vortioxetine|PS37 - Vortioxetine|VORTIOXETINE [MI]|VORTIOXETINE [INN]|VORTIOXETINE [VANDF]|Vortioxetine, Lu AA21004|SCHEMBL236115|VORTIOXETINE [WHO-DD]|GTPL7351|CHEMBL2104993|DTXSID80965062|N06AX26|YQNWZWMKLDQSAC-UHFFFAOYSA-N|HMS3886M08|AMY38899|BCP05996|BDBM50400902|s5506|STL483777|AKOS016008748|CCG-229998|CS-1471|DB09068|GG-0052|SB16506|compound 5m [PMID: 21486038]|NCGC00386237-08|AC-27648|DA-42264|HY-15414|NS00068019|D10184|EN300-746942|A853366|AR-270/43507985|Q3563148|1-[2-(2,4-Dimethylphenylsulfanyl)-phenyl]piperazine|Lu AA 21004 pound>>LuAA21004 pound>> Lu-AA21004 pound>> Lu AA21004 pound>> AA21004|VTX
298.400
C18H22N2S
40.600
316.000
4.200
21
1
3
3
InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C
CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C
YQNWZWMKLDQSAC-UHFFFAOYSA-N
1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine
298.15
298.15
0
1
0
0
0
0
0
0
0
478
1933
491
2D+3D
Vortioxetine
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar
16
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20061025
001Chemical|10X CHEM|4C Pharma Scientific Inc|A&J Pharmtech CO., LTD.|A2B Chem|A2Z Chemical|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|AbMole Bioscience|AbovChem LLC|Acadechem|Ace Therapeutics|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Product List|Activate Scientific|Adooq BioScience|AEchem Scientific Corp., USA|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alsachim|Amadis Chemical|Ambeed|Ambinter|Angel Pharmatech Ltd.|Ansion Pharma|ApexBio Technology|Apexmol|Ark Pharm, Inc.|Ark Pharma Scientific Limited|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|AvaChem Scientific|BenchChem|BePharm Ltd.|Bic Biotech|BindingDB|BioChemPartner|Biocore|BioCrick|BLD Pharm|BOC Sciences|Broad Institute|CAPOT|Center for Chemical Genomics, University of Michigan|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|Chemenu Inc.|ChemFish Tokyo Co., Ltd.|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|ChemShuttle|ChemSpider|CHIRALEN|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|Crystallography Open Database (COD)|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|Debye Scientific Co., Ltd|DiscoveryGate|DrugBank|DrugCentral|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|Elsa Biotechnology|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|Excenen Pharmatech|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fisher Drug Discovery Resource Center|Fragmenta|Google Patents|Hairui Chemical|Hangzhou APIChem Technology|Hefei Hirisun Pharmatech Co., Ltd|Human Metabolome Database (HMDB)|Hunan Chemfish Pharmaceutical Co., Ltd.|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|Innovapharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LGC Standards|Matrix Scientific|Mcule|MedChemexpress MCE|MolCore|Molecule Market|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NCBI Structure|NextBio|NextMove Software|NIH/NCATS RNAi|NORMAN Suspect List Exchange|OlainFarm JSC|OXCHEM CORPORATION|PATENTSCOPE (WIPO)|Pi Chemicals|Probes & Drugs portal|Prous Science Drugs of the Future|PubChem Reference Collection|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Selleck Chemicals|Sinfoo Biotech|Smolecule|Specs|Springer Nature|Starshine Chemical|SureChEMBL|Synblock Inc|Syntree|TargetMol|THE BioTek|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|ToxPlanet|Uchem Meditech|UCSC Chemical Screening Center|University of Kansas High Throughput Screening Laboratory|VanderVen Lab, College of Veterinary Medicine, Cornell University|Vitas-M Laboratory|VladaChem|Wikidata|Win-Win Chemical|Wolves R&D chemical|Wubei-Biochem|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors|N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants|C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent|D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists|D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists|D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents|D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents|D049990 - Membrane Transport Modulators|D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants|D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents|D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
64150
Amantadine Hydrochloride
Amantadine hydrochloride|665-66-7|1-Adamantanamine hydrochloride|Amantadine HCl|Symmetrel|1-Aminoadamantane hydrochloride|adamantan-1-amine hydrochloride|Adamantanamine hydrochloride|Amazolon|Midantane|Mydantane|Virofral|1-Adamantylamine hydrochloride|Amantan|Influenol|Mantadix|Midantan|Trivaline|Virasol|Symadine|Amantadine (hydrochloride)|Viregyt|Virosol|Adamantylamine hydrochloride|Aminoadamantane hydrochloride|Adamantine hydrochloride|1-Adamantanamine, hydrochloride|Osmolex|EXP 105-1|NSC 83653|Exp-105-1|NSC-83653|1-Aminoadamantene hydrochloride|GP 38026|UNII-M6Q1EO9TD0|EINECS 211-560-2|M6Q1EO9TD0|MFCD00074723|MLS000028731|1-Adamantanamine HCl|AI3-52211|adamantan-1-aminium chloride|Tricyclo[3.3.1.13,7]decan-1-amine, hydrochloride|CHEBI:2619|Tricyclo(3.3.1.1(sup 3,7))decan-1-amine, hydrochloride|EC 211-560-2|ADS-5102|NSC83653|Amantadine hydrochloride (Symmetrel)|Tricyclo(3.3.1.13,7)decan-1-amine, hydrochloride|Amantadine hydrochloride [USAN:USP:JAN]|SMR000059204|665-66-7 (HCL)|1-Aminoadamantene hydrochlorid|1-Adamantanamine hydrochloride;1-Adamantylamine hydrochloride;1-Aminoadamantane hydrochloride|AMANTADINE HYDROCHLORIDE (MART.)|AMANTADINE HYDROCHLORIDE [MART.]|1-Adamantanaminehydrochloride|AMANTADINE HYDROCHLORIDE (USP-RS)|AMANTADINE HYDROCHLORIDE [USP-RS]|Amantadine hydrochloride (USAN:USP:JAN)|AMANTADINE HYDROCHLORIDE (EP MONOGRAPH)|AMANTADINE HYDROCHLORIDE (USP MONOGRAPH)|AMANTADINE HYDROCHLORIDE [EP MONOGRAPH]|AMANTADINE HYDROCHLORIDE [USP MONOGRAPH]|Cerebramed|Adamine|Hofcomant|Lysovir|Mantadan|Mantadine|Nurelin|Adamin|adamantan-1-amine;hydrochloride|Osmolex er|SR-01000075353|tricyclo(3.3.1.1(3,7))decan-1-aminium chloride|Symmetrel (TN)|Osmolex er (TN)|Gocovri (TN)|Amantadinehydrochloride|Opera_ID_671|Adamantamine hydrochloride|Hydrochloride, Amantadine|adamantyl amine hydrochloride|C10H17N.HCl|CHEMBL1569|SCHEMBL40713|adamantan-1-aminehydrochloride|MLS002153257|MLS003899199|SPECTRUM1500110|HY-B0402A|1-aminoada- mantane hydrochloride|AMY3568|DTXSID50874031|N04BB01|WOLHOYHSEKDWQH-SOVZANNPSA-N|HMS1920A19|Pharmakon1600-01500110|ADS-5101|BCP11857|STR01017|Tox21_500004|AMANTADINE HYDROCHLORIDE [MI]|CCG-38899|HB0109|NSC755860|s2451|Tricyclo[3.3.1.13, hydrochloride|Amantadine hydrochloride (JP17/USP)|AMANTADINE HYDROCHLORIDE [JAN]|AKOS015900347|AKOS015951188|AC-8689|AMANTADINE HYDROCHLORIDE [USAN]|LP00004|NC00489|NSC-755860|AMANTADINE HYDROCHLORIDE [VANDF]|1-adamantylammonium;1-Adamantanamine HCl|AMANTADINE HYDROCHLORIDE [WHO-DD]|NCGC00093531-01|NCGC00093531-02|NCGC00093531-03|NCGC00093531-04|NCGC00260689-01|BA166177|SMR001370746|A0588|EU-0100004|NS00078402|SW219892-1|(3R,5S,7s)-Adamantan-1-amine hydrochloride|AMANTADINE HYDROCHLORIDE [ORANGE BOOK]|EN300-17255|A 1260|C07939|D00777|F15409|WLN: L66 B6 A B- C 1B ITJ BZ &GH|A835493|J-650095|J-650235|Q-200621|SR-01000075353-1|Tricyclo[3.3.1.1 3,7]decan-1-amine hydrochloride|Tricyclo[3.3.1.13,7]decan-1-amine hydrochloride|Q27105739|Tricyclo(3.3.1.13,7)dec-1-ylamine monohydrochloride|F3111-1111|Z1522567174|Tricyclo(3.3.1.13,7)decan-1-amine, hydrochloride (1:1)|Amantadine hydrochloride, European Pharmacopoeia (EP) Reference Standard|Amantadine hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material|Amantadine hydrochloride, United States Pharmacopeia (USP) Reference Standard|1-Aminoadamantane hydrochloride; 1-Adamantanamine hydrochloride; 1-Adamantylamine hydrochloride
187.710
C10H18ClN
26.000
144.000
null
12
2
1
0
InChI=1S/C10H17N.ClH/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H
C1C2CC3CC1CC(C2)(C3)N.Cl
C1C2CC3CC1CC(C2)(C3)N.Cl
WOLHOYHSEKDWQH-UHFFFAOYSA-N
adamantan-1-amine;hydrochloride
187.113
187.113
0
2
0
0
0
0
0
0
0
4495
5218
1487
2D
Amantadine
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
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9310|1259313|1259318|1259354|1259370|1259374|1259389|1259406|1259413|1259415|1259416|1259422|1345086|1346200|1346212|1346378|1347041|1347055|1347056|1347071|1347074|1347075|1347076|1347120|1347131|1347143|1409565|1409566|1409567|1409568|1409569|1409570|1409571|1409598|1508601|1508602|1508614|1508626|1640020|1645758|1645882|1645883|1645886|1645887|1671190|1671463|1745845|1794731|1794732|1794733|1794735|1794736|1794738|1794739|1794740|1794742|1794745|1794746|1794748|1794750|1794751|1794752|1794753|1794754|1794755|1794756|1794757|1794758|1794759|1794760|1794761|1794763|1794764|1794765|1794766|1794767|1794768|1794769|1794771|1794772|1794773|1794774|1794775|1794776|1794777|1794778|1794779|1794780|1794781|1794782|1794783|1794784|1794785|1794786|1794787|1794788|1794789|1794790|1794792|1794793|1794794|1794795|1794796|1794798|1794799|1794800|1794808|1920062
20040916
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbovChem LLC|Acadechem|Ace Therapeutics|Achemica|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alichem|Alinda Chemical|Amadis Chemical|Ambinter|AN PharmaTech|Angene Chemical|Anward|AOBIOUS INC|ApexBio Technology|Apexmol|Aribo Reagent|Ark Pharm, Inc.|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|BenchChem|BePharm Ltd.|Bic Biotech|BioChemPartner|Biocore|BioCrick|Biosynth|BLD Pharm|BOC Sciences|Boerchem|CAPOT|CCSbase|Center for Chemical Genomics, University of Michigan|ChangChem|Changzhou Highassay Chemical Co., Ltd|Chem-Space.com Database|Chembase.cn|ChEMBL|Chemenu Inc.|ChemExper Chemical Directory|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|ChemMol|ChemSpider|ChemTik|Chen Lab, School of Medicine, Emory University|Chung Lab, Department of Pediatrics, Emory University|Circadian Research, Kay Laboratory, University of California at San Diego (UCSD)|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Cooke Chemical Co., Ltd|CymitQuimica|DC Chemicals|DiscoveryGate|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|Emory University Molecular Libraries Screening Center|Enamine|eNovation Chemicals|EPA DSSTox|Eximed Laboratory|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Founder Pharma|Glentham Life Sciences Ltd.|Gulick Lab, Department of Structural Biology, University at Buffalo|Hairui Chemical|Hangzhou APIChem Technology|Hangzhou Trylead Chemical Technology|Hefei Hirisun Pharmatech Co., Ltd|Hello Bio|Horrigan Lab, Baylor College of Medicine|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|Innovapharm|ISpharm|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|Lan Pharmatech|LeadScope|LEAPCHEM|LGC Standards|Life Chemicals|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Milwaukee Institute for Drug Discovery|MLSMR|MolCore|Molecule Market|Molepedia|MolPort|MP Biomedicals|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NextBio|NextMove Software|NIH Clinical Collection|NINDS Approved Drug Screening Program|NIST Chemistry WebBook|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|OChem|OlainFarm JSC|ORST SMALL MOLECULE SCREENING CENTER|OtavaChemicals|OXCHEM CORPORATION|Paczesny and Yang Labs, IUPUI and University of Michigan|PATENTSCOPE (WIPO)|Petrascheck Lab, The Scripps Reserach Institute, Department of Molecular Medicine|Pi Chemicals|Probes & Drugs portal|Prous Science Drugs of the Future|PubChem Reference Collection|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|Selleck Chemicals|Sigma-Aldrich|Sinfoo Biotech|Smolecule|Springer Nature|Starshine Chemical|SureChEMBL|Syntree|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Thieme Chemistry|Thomson Pharma|Thoreauchem|TimTec|Tox21|ToxPlanet|Tractus|UCSC Chemical Screening Center|University of Iowa High-Throughput Screening Core (UIHTS)|University of Kansas High Throughput Screening Laboratory|University of Pittsburgh Molecular Library Screening Center|VladaChem|VWR, Part of Avantor|Wikidata|Win-Win Chemical|Wolves R&D chemical|Wubei-Biochem|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|Zjartschem
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents|C254 - Anti-Infective Agent > C281 - Antiviral Agent|D000890 - Anti-Infective Agents > D000998 - Antiviral Agents|D002491 - Central Nervous System Agents > D000700 - Analgesics|D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents|D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents|C93038 - Cation Channel Blocker|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
10621
Hesperidin
hesperidin|520-26-3|Cirantin|Hesperidoside|Hesper bitabs|Hesperetin 7-rhamnoglucoside|Hesperetin-rutinosid|Hesperidine|Hesperetin 7-rutinoside|Ciratin|(S)-(-)-Hesperidin|CCRIS 3940|EINECS 208-288-1|(2S)-Hesperidin|NSC 44184|UNII-E750O06Y6O|BRN 0075140|DIOSVEIN|Hesperetin-7-O-rhamnoglucoside|Hesperidin, (2S)-|DTXSID9044328|Hesperetin-7-rutinoside|CHEBI:28775|E750O06Y6O|Hesperetin 7-O-rutinoside|USAF CF-3|Hesperitin-7-rhamnoglucoside|Hesperidin, (S)-(-)-|3',5'-Dihydroxy-4'-methoxy-7-rutinosyloxyflavan-4-on|MLS001304066|(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one|DTXCID7024328|EC 208-288-1|5-18-05-00218 (Beilstein Handbook Reference)|Hesperidin (JAN)|Hesperetin, 7-(6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside)|NSC-44184|(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside|(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one|(S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one|(s)-7-[[6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4h-1-benzopyran-4-one|4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydo-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-|5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-((6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)oxy)-4-chromanon|7-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, (S)-|7-(6-O-Desoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanon|SMR000718775|HESPERIDIN [JAN]|MFCD00075663|HESPERIDIN (MART.)|HESPERIDIN [MART.]|HESPERIDIN (USP-RS)|HESPERIDIN [USP-RS]|Aurantiamarin (Methyl Hesperidin)|3',5'-DIHYDROXY-4'-METHOXY-7-RUTINOSYLOXYFLAVAN-4-ONE|hesperetin 7-(6-O-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside|NSC44184|Hesperidin 2S|2S, Hesperidin|(2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one|Hesperetin 7 Rutinoside|SR-01000799145|Hesperetin 7 Rhamnoglucoside|Hesperidina|Cirmtin|7-Rhamnoglucoside, Hesperetin|Hesperidin,(S)|NCGC00016481-01|(2S)-7-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one (Hesperidin)|(S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)methyl)tetrahydro-2H-pyran-2-yloxy)chroman-4-one|CAS-520-26-3|Hesperetin Glycoside|Hesperitin-7-rutinoside|Hesperidin, >=80%|HESPERIDIN [MI]|DIOSMIN [NDI]|Prestwick3_000400|HESPERIDIN [INCI]|HESPERIDIN [VANDF]|Glucopyranoside, hesperetin-7 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-|HESPERIDIN [WHO-DD]|SCHEMBL94586|BSPBio_000619|4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-|cid_10621|Hesperidin, analytical standard|BPBio1_000681|CHEMBL449317|NDI 590 [FDMS]|BCBcMAP01_000136|BDBM61776|NDI 590|2H-pyran-2-yloxy)chroman-4-one|HMS2096O21|HMS2233I03|HMS3713O21|Tox21_110448|s2309|AKOS015895450|CCG-208580|CS-5631|DB04703|KS-5308|SMP1_000149|NCGC00179501-01|1ST40133|4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-|HY-15337|AB00513829|H0049|NS00008545|C09755|D01038|(S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-|EN300-7419024|Q385937|Hesperidin, primary pharmaceutical reference standard|methyltetrahydro-2H-pyran-2-yloxy)methyl)tetrahydro-|SR-01000799145-4|SR-01000799145-5|SR-01000799145-7|7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-|BRD-K38903228-001-02-8|BRD-K38903228-001-13-5|Hesperidin, European Pharmacopoeia (EP) Reference Standard|Hesperidin, Pharmaceutical Secondary Standard; Certified Reference Material|Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(6-O-alpha-L-rhamnosyl-D-glucoside)|(2S)-2-(4-methoxy-3-oxidanyl-phenyl)-7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-2,3-dihydrochromen-4-one|(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-3,4-dihydro-2H-1-benzopyran-4-one|(2S)-7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2,3-DIHYDRO-5-HYDROXY-2-(3-HYDROXY-4-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE|(2S)-7-((6-O-(6-DEOXY-alpha-L-MANNOPYRANOSYL)-beta-D-GLUCOPYRANOSYL)OXY)-2,3-DIHYDRO-5-HYDROXY-2-(3-HYDROXY-4-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE|(S)-7-[[6-O-(6-Deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one|4H-1-BENZOPYRAN-4-ONE, 7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2,3-DIHYDO-5-HYDROXY-2-(3-HYDROXY-4-METHOXYPHENYL)-, (S)-|5-HYDROXY-2-(3-HYDROXY-4-METHOXYPHENYL)-7-((6-O-.ALPHA.-L-RHAMNOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-4-CHROMANON
610.600
C28H34O15
234.000
940.000
-1.100
43
8
15
7
InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
QUQPHWDTPGMPEX-QJBIFVCTSA-N
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
610.19
610.19
0
1
0
11
11
0
0
0
0
2023
19022
8214
2D+3D
Hesperidin
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active
16
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20050624
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101526
Moxifloxacin Hydrochloride
Moxifloxacin hydrochloride|186826-86-8|Moxifloxacin HCl|Avelox|Vigamox|Avalox|BAY 12-8039|Moxifloxacin (Hydrochloride)|Moxeza|Bay-12-8039|Actira|Izilox|MFLX|CHEBI:7008|Moxifloxacin (as hydrochloride)|DTXSID4045921|UNII-C53598599T|AL-15469A|BAY12-8039|NSC-758875|(4aS-cis)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(octahydro-6H-pyrrolol(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid, monohydrochloride|7-[(4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride|AVELOX IN SODIUM CHLORIDE 0.8% IN PLASTIC CONTAINER|C53598599T|DTXCID2025921|Moxifloxacine hydrochloride|MFCD00949117|Moxifloxacin hydrochloride [USAN:USP]|NSC 758875|1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid, monohydrochloride|1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid hydrochloride (1:1)|3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-, monohydrochloride|7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid hydrochloride|186826-86-8 (HCl); 354812-41-2 (free base)|Octegra|Vigamox (TN)|Avelox (TN)|Moxifloxacin hydrochloride (USAN:USP)|1-Cyclopropyl-6-fluoro-7-((4aS,7aS)-hexahydro-1H-pyrrolo[3,4-b]pyridin-6(2H)-yl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride|1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-((4aS,7aS)-tetrahydro-1H-pyrrolo[3,4-b]pyridin-6(2H,7H,7aH)-yl)-1,4-dihydroquinoline-3-carboxylic acid hydrochloride|MOXIFLOXACIN HYDROCHLORIDE (MART.)|MOXIFLOXACIN HYDROCHLORIDE [MART.]|MOXIFLOXACIN HYDROCHLORIDE (USP-RS)|MOXIFLOXACIN HYDROCHLORIDE [USP-RS]|CAS-186826-86-8|MOXIFLOXACIN HYDROCHLORIDE (EP MONOGRAPH)|MOXIFLOXACIN HYDROCHLORIDE [EP MONOGRAPH]|Moxifloxacin hydrochloride [USAN]|MOXIFLOXACIN HYDROCHLORIDE (USP MONOGRAPH)|MOXIFLOXACIN HYDROCHLORIDE [USP MONOGRAPH]|Moxivig|Vegamox|Actura|BAY12-8039 HCl|Avelox Abc Pack|NCGC00095130-01|1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid, monohydrochloride|1-cyclopropyl-6-fluoro-8-methoxy-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride|1-cyclopropyl-6-fluoro-8-methoxy-7-((4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride|1-cyclopropyl-6-fluoro-8-methoxy-7-((4aS,7aS)-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride|1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride|1-Cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydropyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride|Moxifloxacin Ophthalmic|CPD000469185|Moxifloxacin hydrochloride|SCHEMBL37285|MLS001401368|Moxifloxacin Ophthalmic Solution|CHEMBL1200735|MOXIFLOXACIN HCL [VANDF]|1346603-25-5|AMY25227|BCP03623|Tox21_111439|Moxifloxacin hydrochloride (JAN/USP)|AKOS015920132|AKOS016015225|Tox21_111439_1|AC-1275|BCP9000963|CCG-100924|CS-1063|KS-1181|MOXIFLOXACIN HYDROCHLORIDE [MI]|NC00174|MOXIFLOXACIN HYDROCHLORIDE [JAN]|NCGC00271749-02|HY-66011|SMR000469185|BCP0726000173|MOXIFLOXACIN HYDROCHLORIDE [WHO-DD]|Moxifloxacin hydrochloride, >=98% (HPLC)|M2479|S1465|SW197554-3|D00874|MOXIFLOXACIN HYDROCHLORIDE [ORANGE BOOK]|EN300-2009156|Q27107395|Z2235801869|186826-86-8 151096-09-2(base)|Moxifloxacin hydrochloride, VETRANAL(TM), analytical standard|Moxifloxacin hydrochloride, European Pharmacopoeia (EP) Reference Standard|Moxifloxacin for peak identification, European Pharmacopoeia (EP) Reference Standard|MOXIFLOXACIN HYDROCHLORIDE IN SODIUM CHLORIDE 0.8% IN PLASTIC CONTAINER|Moxifloxacin Hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material|Moxifloxacin hydrochloride, United States Pharmacopeia (USP) Reference Standard|1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic Acid Hydrochloride|1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic Acid Hydrochloride|1-Cyclopropyl-6-fluoro-7-((4aS,7aS)-hexahydro-1H-pyrrolo[3,4-b]pyridin-6(2H)-yl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid HCl|1-Cyclopropyl-6-fluoro-7-((4aS,7aS)-hexahydro-1H-pyrrolo[3,4-b]pyridin-6(2H)-yl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylicacidhydrochloride|1-Cyclopropyl-6-fluoro-8-methoxy-7-((4aS,7aS)-octahydropyrrolo(3,4-b)pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid monohydrochloride|7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride|7-[[(4As,8aS)-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridin-7-yl]methyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
437.900
C21H25ClFN3O4
82.100
727.000
null
30
3
8
4
InChI=1S/C21H24FN3O4.ClH/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24;/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28);1H/t11-,16+;/m0./s1
COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O.Cl
COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O.Cl
IDIIJJHBXUESQI-DFIJPDEKSA-N
7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
437.152
437.152
0
2
0
2
2
0
0
0
0
10180
4513
1142
2D
Moxifloxacin
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
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20050808
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444036
Fluticasone Propionate
FLUTICASONE PROPIONATE|Flovent|80474-14-2|Cutivate|Flixotide|Flonase|Flixonase|Flovent HFA|Flusonal|Fluspiral|Flunase|Flutide|atemur|Asmatil|Axotide|Brethal|Fluinol|Flutivate|Flixotide Disk|Flixotide Disks|Flovent Diskus|Flovent Diskus 50|Flixotide Inhaler|Flovent Diskus 100|Flovent Diskus 250|Cultivate|Inalacor|Rinosone|Trialona|Ubizol|Zoflut|Flixonase Nasal Spray|Flonase Aq|Fluticasonpropionat Allen|Flovent-hfa|CCI-18781|ArmonAir RespiClick|CCI 18781|Xhance|Fluticasone (propionate)|UNII-O2GMZ0LF5W|Fluticasone-17-propionate|O2GMZ0LF5W|cci18781|ArmonAir RespiClickTM|DTXSID8045511|CHEBI:31441|Flonase Allergy Relief|MFCD00866007|NSC-759889|Fluticasone propionate (Flonase, Veramyst)|PF-00241939|DTXCID801476602|Fluticasone propionate [USAN:USP]|NSC 759889|ADVAIR COMPONENT FLUTICASONE PROPIONATE|DYMISTA COMPONENT FLUTICASONE PROPIONATE|ADVAIR HFA COMPONENT FLUTICASONE PROPIONATE|FLUTICASONE PROPIONATE COMPONENT OF ADVAIR|FLUTICASONE PROPIONATE COMPONENT OF DYMISTA|LIPO-102 COMPONENT FLUTICASONE PROPIONATE|Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-, (6alpha,11beta,16alpha,17alpha)-S-(fluoromethyl) ester|FLUTICASONE PROPIONATE COMPONENT OF ADVAIR HFA|AIRDUO RESPICLICK COMPONENT FLUTICASONE PROPIONATE|FLUTICASONE PROPIONATE COMPONENT OF AIRDUO RESPICLICK|Fluticasone propionate (USAN:USP)|C25H31F3O5S|FLUTICASONE PROPIONATE (MART.)|FLUTICASONE PROPIONATE [MART.]|FLUTICASONE PROPIONATE (USP-RS)|FLUTICASONE PROPIONATE [USP-RS]|Fluticasone propionate [USAN]|FLUTICASONE PROPIONATE (EP MONOGRAPH)|FLUTICASONE PROPIONATE [EP MONOGRAPH]|FLUTICASONE PROPIONATE (USP MONOGRAPH)|FLUTICASONE PROPIONATE [USP MONOGRAPH]|Propionate, Fluticasone|Fluxonal|childrens nasal|Skyron|FlutiCare|Flovent Rotadisk|Childrens Nasopro|Welby Fluticasone|NCGC00016943-01|Cutivate (TN)|6alpha,9-difluoro-17beta-(((fluoromethyl)sulfanyl)carbonyl)-11beta-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17alpha-yl propanoate|6alpha,9-difluoro-17beta-{[(fluoromethyl)sulfanyl]carbonyl}-11beta-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17alpha-yl propanoate|Nasopro 24|allergy relief nasal|Flonase (TN)|Flovent (TN)|CAS-80474-14-2|FLOVENTDISKUS|FLOVENTHFA|fluticasone-propionate|FlutiCareNasal Alergy|childrens allergy nasal|CHILDRENS FLONASE|24 Hour Allergy Nasal|ARMONAIR DIGIHALER|betr allergy relief nasal|Fluticasone PropionateHFA|Prestwick0_000997|Prestwick1_000997|Prestwick2_000997|Prestwick3_000997|leader allergy relief nasal|FLONASEALLERGY RELIEF|SCHEMBL4068|Fluticasone Propionate Nasal|CHEMBL1473|Kirkland Signature Aller Flo|BSPBio_001093|MLS001424085|S-(Fluoromethyl) 6alpha,9-difluoro-11beta,17-dihydroxy-16alpha-methyl-3-oxoandrosta-1,4-diene-17beta-carbothioate, 17-propionate|Fluticasone propionate- Bio-X|24 Hour Allergy Relief nasal|SPBio_002984|Equaline Fluticasone Propionate|basic care allergy relief nasal|BPBio1_001203|GTPL7080|DG Health Allergy Relief Nasal|caring mill allergy relief nasal|Up and Up Allergy Relief Nasal|Fluticasone propionate (JAN/USP)|FN-25|Good Sense 24 hour allergy nasal|HMS1571G15|HMS2051N19|HMS2098G15|HMS3413A19|HMS3677A19|HMS3715G15|FLUTICASONE PROPIONATE [MI]|Harris Teeter Allergy Relief Nasal|AMY38235|HY-B0154|topcare fluticasone propionate nasal|YMB56612|FLUTICASONE PROPIONATE [JAN]|SunMark allergy relief nasal 24 hr|Tox21_110698|AC-457|BDBM50354849|HB1091|s1992|CHILDRENS FLONASEALLERGY RELIEF|FLUTICASONE PROPIONATE [VANDF]|Picnic Allergy Symptom Reliever Nasal|AKOS015895220|fluticasone propionate (glucocorticoid)|Tox21_110698_1|CCG-100981|CS-1986|DB00588|FLUTICASONE PROPIONATE [WHO-DD]|KS-1173|NC00231|health mart allergy relief nasal 24 hr|basic care childrens allergy relief nasal|DG Health childrens allergy relief nasal|NCGC00179308-01|NCGC00179308-04|NCGC00179308-05|RUGBY FLUTICASONE PROPIONATE NASAL|[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate|BF160362|BF161262|caring mill childrens allergy relief nasal|SMR000469159|FLUTICASONE PROPIONATE [ORANGE BOOK]|AB00513992|good neighbor pharmacy fluticasone propionate|NS00069576|A51110|D01708|AB00513992-06|AB00513992_08|EN300-7480904|Fluticasone propionate - micronised pharma grade|Fluticasone propionate, >=98% (HPLC), powder|TopCare Childrens Allergy Relief Nasal 24 Hour|AN-584/43505443|SR-01000763355|Q-101393|Q8564098|SR-01000763355-3|BRD-K62310379-001-03-0|Fluticasone propionate 100 microg/mL in Acetonitrile|Fluticasone 17(2)-Carbonylsulfenic Acid 17-Propionate|Good Neighbor Pharmacy Childrens Fluticasone Propionate|Fluticasone propionate, European Pharmacopoeia (EP) Reference Standard|Fluticasone propionate, United States Pharmacopeia (USP) Reference Standard|Fluticasone Propionate, Pharmaceutical Secondary Standard; Certified Reference Material|(1R,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-5,9b-difluoro-1-{[(fluoromethyl)sulfanyl]carbonyl}-10-hydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl propanoate|(1R,2S,8S,10S,11S,13R,14R,15S,17S)-1,8-difluoro-14-{[(fluoromethyl)sulfanyl]carbonyl}-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl propanoate|(6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)androsta-1,4-diene-17-carbothioic acid fluoromethyl ester|(6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)androsta-1,4-diene-17-carbothioic acid S-(fluoromethyl) ester|(6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)androsta-1,4-diene-17-carbothioic Acid, S-(Fluoromethyl) Ester|ANDROSTA-1,4-DIENE-17-CARBOTHIOIC ACID, 6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)-, (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-S-(FLUOROMETHYL) ESTER|Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-,S-(fluoromethyl) ester, (6.alpha.,11.beta.,16.alpha.,17.alpha.)-|Fluticasone propionate for impurity C identification, EuropePharmacopoeia (EP) Reference Standard|Fluticasone propionate for impurity G identification, EuropePharmacopoeia (EP) Reference Standard|S-FLUOROMETHYL 6.ALPHA., 9.ALPHA.-DIFLUORO-11.BETA.-HYDROXY-16.ALPHA.-METHYL-3-OXO-17.ALPHA.-PROPIONYLOXYANDROSTA-1,4-DIENE-17.BETA-. CARBOTHIOATE|S-FLUOROMETHYL 6alpha, 9alpha-DIFLUORO-11beta-HYDROXY-16alpha-METHYL-3-OXO-17alpha-PROPIONYLOXYANDROSTA-1,4-DIENE-17.BETA-. CARBOTHIOATE|S-Fluoromethyl 6alpha,9alpha-difluoro-11beta-hydroxy-16alpha-methyl-3-oxo-17alpha-propionyloxyandrost-1,4-diene-17beta-carbothioate
500.600
C25H31F3O5S
106.000
984.000
4.000
34
1
9
6
InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCF
CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCF
WMWTYOKRWGGJOA-CENSZEJFSA-N
[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
500.184
500.184
0
1
0
9
9
0
0
0
0
6477
61699
12672
2D+3D
Fluticasone
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
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20050624
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4510
Nitroglycerin
nitroglycerin|Glyceryl trinitrate|Trinitroglycerin|Nitrostat|55-63-0|Nitroglycerine|Nitroglycerol|Trinitroglycerol|Nitro-dur|Minitran|Transderm-nitro|Glycerol trinitrate|Nitrolingual|Trinitrin|Nitronet|Nitora|Tridil|Lenitral|Nitroderm|Nitroglyn|Nitrospan|Niong|NitroMist|Transderm Nitro|Nitro-Bid|Nitroglicerina|Nitrostabilin|Angiolingual|Cardamist|Epinitril|Klavikordal|Myoglycerin|Natispray|Niglycon|Nitrocine|Nitrolan|Nitroletten|Nitrolowe|Nitromel|Nitronal|Nitrorectal|Nitroretard|Nysconitrine|Perglottal|Perlinganit|Rectogesic|Susadrin|Sustonit|Temponitrin|Trinalgon|Trinitrol|Vasoglyn|Angibid|Angorin|Glonoin|Niglin|Nitrong|propane-1,2,3-triyl trinitrate|Soup|Gilucor nitro|Blasting gelatin|Nitro-lent|Nitrozell retard|Nitro-Span|Nitroderm TTS|Nitrine-TDC|Cordipatch|Corditrine|Glycerin trinitrate|Nitrogliceryna|Nitroplast|Trinitrosan|Adesitrin|Chitamite|Deponit|Glonoinum|Glytrin|Millisrol|Nitrodisc|Nitrogard|Nitroglin|Nitromex|Nitromint|Percutol|Suscard|Triniplas|Myocon|Rectiv|NitroCor|Glyceryl nitrate|Transiderm-nitro|1,2,3-Propanetriol, trinitrate|Coro-Nitro|Nitro-Time|Glyceroltrinitraat|Propanetriol Trinitrate|Nitrolingual Spray|NITRO IV|Gonitro|Transderm-Nitro TTS|Glycerintrinitrate|1,2,3-Propanetriyl nitrate|Glycerol, nitric acid triester|Trinitrine|SK-106N|Glycerol(trinitrate de)|Nitrol (pharmaceutical)|Trinitrin Tablets|NG|Rcra waste number P081|IMX-150|Diluted nitroglycerin|1,3-dinitrooxypropan-2-yl nitrate|NITROLINGUAL PUMPSPRAY|NTG|1,2,3-propanetrioltrinitrate|Nitroglycerin in Dextrose 5%|NK-843|Nitromed|1,2,3-Propanetriol trinitrate|Glycerol Nitric Acid Triester|G59M7S0WS3|GTN|CHEBI:28787|C01DA02|Gilustenon|Trinitrolong|Sustak|1,2,3-trinitrooxypropane|TNG|NitroBid|1,2,3-Propanetriol, 1,2,3-trinitrate|Aldonitrin|Cardiodisco|Colenitral|Discotrine|Glycerylnitrat|Lentonitrina|Nitrobukal|Nitrocerin|Nitrocontin|Nitropatch|Nitropercuten|Nitroperlinit|Nitropront|Nitroprontan|Plastranit|Ratiopharm|Trinipatch|Angiplex|Angonist|Buccard|Cardabid|Cardinit|Dauxona|Diafusor|DTXSID1021407|Glyceryl|Herwicard|Minitram|Mionitrat|Nitradisc|Nitroard|Nitrobaat|Nitroclyn|Nitrocot|Nitrodyl|Nitrolin|Nitropen|Nitroprol|Nitrorex|Nitrovis|Perganit|Polnitrin|Trinitron|Turicard|Vasolator|Vernies|Willong|Anglix|Herzer|Myovin|Nirmin|Nitrek|Sustac|Nitrol Ointment|Trinitrina Erba|Nitradisc Pad|Nitro-Pflaster|Nitrobid Oint|Nitrong Retard|Niong Retard|Nitro Retard|Aquo-Trimitrosan|Nitro Rorer|Nitromack Retard|Nitromint Retard|Nitronal Aqueous|Nitrogard-SR|Mi-Trates|Nitradisc TTS|Nitriderm TTS|Nitro-Par|Top-Nitro|Nitrocine 5|Nitrodyl TTS|Nitromint Aerosol|Nitrong-SR|Deponit 5|Deponit-5|Neos nitro OPT|Nit-Ret|Nitroglycerin-ACC|Transderm-N TTS|Nitro Mack Retard|Nitro-M-Bid|Nitro-Mack Retard|Gepan Nitroglicerin|Nitro Dur TTS|Nitroderm TTS-5|GTN-Pohl|Nitroderm TTS Ext|Nitro-Dur 5|Nitrocontin Continus|Deponit TTS 5|Nitro-Gesanit Retard|Cellegesic|Deponit TTS 10|Nitro-Dur 10|Nitrocap|NitroQuick|NitroQuik|Percutol Oint.|Nitrong parenteral|NitrocapT.D.|Glycerine trinitrate|Nitroglycerin (NG)|Trinitrate, Glyceryl|Corangin Nitrokapseln|Trinitroglicerina Fabra|Anogesic|Minitro|Nitriderm|Nitroject|Vascana|Buccal|Nitrogliceryna [Polish]|Nitroglycerine [French]|GLYCERYL TRINITRATE (MART.)|GLYCERYL TRINITRATE [MART.]|Tridil sublin|Trinitrine Simple Laleuf|Nitroglicerina [Italian]|Nitroglicerina [Spanish]|Aquo-trinitrosan|NITROGLYCERIN (USP IMPURITY)|NITROGLYCERIN [USP IMPURITY]|DILUTED NITROGLYCERIN (USP-RS)|DILUTED NITROGLYCERIN [USP-RS]|Glycerintrinitrate [Czech]|Glyceroltrinitraat [Dutch]|Nitromist (TN)|Minitran (TN)|HSDB 30|SDM No. 17|Nitro-bid (TN)|Nitro-dur (TN)|CCRIS 4089|nitroglycerin ointment|DILUTED NITROGLYCERIN (USP MONOGRAPH)|DILUTED NITROGLYCERIN [USP MONOGRAPH]|Nitric acid triester of gylcerol|Transderm-nitro (TN)|Glycerol(trinitrate de) [French]|Glycerol (trinitrate de) [French]|Glycerol (trinitrate de)|EINECS 200-240-8|UN0143|UN1204|UN3064|UN3319|Nitroglycerin [USP:JAN]|RCRA waste no. P081|BRN 1802063|UNII-G59M7S0WS3|2,3-dinitrooxypropyl nitrate|Nitrofortin|Nitrolande|Nitrosigma|Reminitrol|Solinitrina|Corangil|Nitrolar|Sutonit|Myocor|trans-nitro|Glyceroltrinitrat|Nitro mack|S.N.G.|2,3-bis(nitrooxy)propyl nitrate|MQX-503|Nitro-PRN|MED-2002|Glyceroli trinitratis|Nitroglycerin tablets|Nitroglycerin Lingual|Nitroglycerin Slocaps|SK-866|SK-878|UN0144|Glonoinum Kit Refill|Nitroglycerin Injection|GLONOINUM [HPUS]|Nitroglycerin In Dextrose|NITROGLYCERIN [MI]|CHEMBL730|EC 200-240-8|Nitroglycerin (JP17/USP)|NITROGLYCERIN [HSDB]|S.N.G|SCHEMBL15421|NITROGLYCERIN [VANDF]|4-01-00-02762 (Beilstein Handbook Reference)|UN 0143 (Salt/Mix)|UN 0144 (Salt/Mix)|UN 1204 (Salt/Mix)|(Component of) SDM No 17|(Component of) SDM No 37|BIDD:GT0142|NITROGLYCERIN, DEXTROSE|Nitroglycerin, liquid, not desensitized [Forbidden]|SDM No. 17 (Salt/Mix)|SDM No. 27 (Salt/Mix)|1,2,3-Propanetriol trinatrate|1,2,3-tris-nitryloxy-propane|GTPL7053|Trinitrate 1,2,3-propanetriol|Nitroglycerin Transdermal System|Nitric acid triester of glycerol|HMS2094M15|NITROGLYCERIN [ORANGE BOOK]|NITROGLYCERIN TABLETS [JAN]|c0061|GLYCERYL TRINITRATE [WHO-DD]|NK 843|AKOS030254238|1,3-bis(nitrooxy)propan-2-yl nitrate|DB00727|Nitroglycerin, liquid, not desensitized|Nitroglycerin Sustained-release capsules|Nitroglycerin Transdermal Delivery System|Nitroglycerin Transdermal Infusion System|NS00004622|C07455|D00515|EN300-7352804|Q162867|SR-01000944510|SR-01000944510-1|Nitroglycerin, desensitized with not <40% non-volatile water insoluble phlegmatizer, by mass|Nitroglycerin, desensitized with not <40% non-volatile water insoluble phlegmatizer, by mass [UN0143] [Explosive 1.1D, Poison]
227.090
C3H5N3O9
165.000
219.000
1.600
15
0
9
5
InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2
C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]
C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]
SNIOPGDIGTZGOP-UHFFFAOYSA-N
1,3-dinitrooxypropan-2-yl nitrate
227.003
227.003
0
1
0
0
0
0
0
0
0
34876
63342
22370
2D+3D
Nitroglycerin
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar
16
1189|1205|1208|58416|58418|58420|59574|59741|60299|60813|60814|60816|60819|60820|60821|76451|76452|77510|77511|77513|77514|167355|167787|173808|175471|175492|175666|178068|178994|187573|195179|218879|218881|219085|225247|225250|226296|227028|227030|232773|245849|309710|311367|318681|321898|321900|352262|352494|352500|374756|374757|374758|374759|374760|374762|374763|374764|395247|409957|437026|437027|437029|457931|457932|496817|496818|496819|496820|496821|496823|496824|496825|496826|496827|496828|496829|496830|496831|496832|497005|588211|588212|588213|624349|625279|625280|625281|625282|625283|625284|625285|625286|625287|625288|625289|625290|625291|625292|641620|720641|720717|733826|733827|1067178|1067179|1122381|1122383|1122385|1122387|1259251|1259397|1259398|1259407|1259423|1278461|1333730|1347080|1449015|1449016|1474166|1474167|1508614|1671498|1745844|1918969
20040916
3B Scientific (Wuhan) Corp|ABI Chem|AHH Chemical co.,ltd|AKos Consulting & Solutions|Alfa Chemistry|Ambinter|AN PharmaTech|Angene Chemical|Aurora Fine Chemicals LLC|BenchChem|BIDD|BioCyc|BOC Sciences|Carcinogenic Potency Database (CPDB)|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chembase.cn|ChEMBL|ChemDB|Chemhere|Chemical Carcinogenesis Research Information System (CCRIS)|Chemical Synthesis Database|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|ChemMol|ChemSpider|ChemTik|Clearsynth|Collaborative Drug Discovery, Inc.|Comparative Toxicogenomics Database (CTD)|CymitQuimica|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|EAWAG Biocatalysis/Biodegradation Database|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|Enamine|enviPath|EPA DSSTox|EPA Substance Registry Services|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fisher Drug Discovery Resource Center|Google Patents|Hairui Chemical|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|IUPHAR/BPS Guide to PHARMACOLOGY|KEGG|LeadScope|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|MuseChem|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIST Chemistry WebBook|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|NovoSeek|Parchem|PATENTSCOPE (WIPO)|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Prous Science Drugs of the Future|PubChem Reference Collection|RR Scientific|SCRIPDB|SelectLab Chemicals GmbH|Sigma-Aldrich|SLING Consortium|Springer Nature|SpringerMaterials|SureChEMBL|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|ToxPlanet|VWR, Part of Avantor|Wikidata|Wiley|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents|C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent|C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases > C01DA - Organic nitrates|D053834 - Explosive Agents|C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AE - Muscle relaxants|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
5282452
Pitavastatin
Pitavastatin|Itavastatin|147511-69-1|Livalo|Pitavastatin [INN]|NK 104|pitavastatia|pitavastatine|pitavastatinum|Pitavastatin calcium|UNII-M5681Q5F9P|CHEBI:32020|M5681Q5F9P|NK-104|(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid|6-Heptenoic acid, 7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-, (3R,5S,6E)-|NSC-760423|(3R,5S,6E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid|DTXSID1048384|HSDB 8367|(3R,5S,6E)-7-(2-Cyclopropyl-4-(p-fluorophenyl)-3-quinolyl)-3,5-dihydroxy-6-heptenoic acid|NSC 760423|NIKITA|(3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid|(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid|PITAVASTATIN (MART.)|PITAVASTATIN [MART.]|6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, (3R,5S,6E)-|6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, (S-(R*,S*-(E)))-|121659-03-8|(E,3R,5S)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid|Pitavastatina|(3r,5s,6e)-7-[2-cyclopropyl-4-(p-fluorophenyl)-3-quinolyl]-3,5-dihydroxy-6-heptenoic acid|P 872441|P-872441|PITAVASTATIN [MI]|SCHEMBL3369|PITAVASTATIN [VANDF]|K-924 component Pivastatin|( )-(3R,5S,6E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolyl)-3,5-dihydroxy-6-heptenoic acid|MLS006010096|PITAVASTATIN [WHO-DD]|SCHEMBL464781|GTPL3035|CHEMBL1201753|DTXCID2028357|BDBM86707|HY-B0144A|C10AA08|VGYFMXBACGZSIL-MCBHFWOFSA-N|AKOS005145916|AM84440|DB08860|SMR003965244|CAS_147511-69-1|EN300-25660282|Q412677|BRD-K75958547-001-01-2|(+)-(3R,5S,6E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolyl)-3,5-dihydroxy-6-heptenoic acid|(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxy hept-6-enoic acid|(E)-(3R,5S)-7-[2-Cyclopropyl-4-(4-fluoro-phenyl)-quinolin-3-yl]-3,5-dihydroxy-hept-6-enoic acid|(e)-(3r,5s)-7-[2-cyclopropyl-4-(4-fluoro-phenyl)-quinolin-3-yl]-3,5-dihydroxy-hept-6enoic acid|E-(3R,5S)-7-[2-Cyclopropyl-4-(4fluoro-phenyl)quinolin-3-yl]-3,5-dihydroxy-hept-6-enoic acid
421.500
C25H24FNO4
90.600
631.000
3.500
31
3
6
8
InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1
C1CC1C2=NC3=CC=CC=C3C(=C2/C=C/[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F
C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)O)O)O)C4=CC=C(C=C4)F
VGYFMXBACGZSIL-MCBHFWOFSA-N
(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
421.169
421.169
0
1
0
2
2
0
1
1
0
802
35254
6961
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar
16
588211|588212|588213|678974|679168|699539|699540|699541|1079931|1079932|1079933|1079934|1079935|1079936|1079937|1079938|1079939|1079940|1079941|1079942|1079943|1079944|1079945|1079946|1079947|1079948|1079949|1159387|1159389|1159390|1159391|1159394|1159395|1159396|1210299|1210301|1210302|1218862|1218866|1220811|1220813|1259318|1259416|1259421|1283247|1283271|1283275|1311581|1311584|1318771|1346838|1409605|1474166|1474167|1671498|1697999|1698000|1698001|1698002|1698003|1698004|1698005|1698006|1698007|1698008|1698009|1698010|1698011|1698016|1885210
20051011
001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Product List|ACT Chemical|Activate Scientific|Adooq BioScience|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Alsachim|Amadis Chemical|Ambeed|Ambinter|AN PharmaTech|Apexmol|AstaTech, Inc.|Aurora Fine Chemicals LLC|AvaChem Scientific|BenchChem|BerrChemical|Bic Biotech|BindingDB|BioCrick|Biosynth|BLD Pharm|BOC Sciences|Boerchem|Boone Lab, Chemical Genomics, University of Toronto|Broad Institute|Burnham Center for Chemical Genomics|C. David Weaver Laboratory, Vanderbilt University|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|Chemenu Inc.|Chemical Carcinogenesis Research Information System (CCRIS)|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|CreativePeptides|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|Elsa Biotechnology|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|EvitaChem|Excenen Pharmatech|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|Founder Pharma|GlyTouCan Project|Google Patents|Guri Giaever, Pharmaceutical Sciences, University of British Columbia|Hangzhou APIChem Technology|Hangzhou Trylead Chemical Technology|Horrigan Lab, Baylor College of Medicine|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|labseeker|Lan Pharmatech|LeadScope|LGC Standards|MassBank of North America (MoNA)|Matrix Scientific|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Milwaukee Institute for Drug Discovery|MLSMR|Molepedia|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NCBI Structure|NextBio|NextMove Software|NIH Clinical Collection|NIH/NCATS RNAi|NORMAN Suspect List Exchange|Novartis Institutes for BioMedical Research|NovoSeek|Oakwood Products|OChem|Parchem|PATENTSCOPE (WIPO)|Phion Ltd|Pi Chemicals|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Prous Science Drugs of the Future|PubChem Reference Collection|Race Chemical|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Small Molecule Screening Facility, UW Madison|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|SureChEMBL|Syntree|TargetMol|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Tocris Bioscience|Tox21|ToxPlanet|TripleBond|University of Kansas High Throughput Screening Laboratory|VladaChem|Wikidata|Win-Win Chemical|Wolves R&D chemical|Wuhan Atomole Chemicals Co., Ltd.|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors|C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent|D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents|C471 - Enzyme Inhibitor > C1655 - HMG-CoA Reductase Inhibitor|D009676 - Noxae > D000963 - Antimetabolites|C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AA - Hmg coa reductase inhibitors|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
3821
Ketamine
ketamine|dl-Ketamine|Ketaject|Special K|Ketalar|(+-)-Ketamine|CI 581 base|Calypsol|Ketaminum|CLSTA 20|6740-88-1|(+/-)-Ketamine|narketan|Cetamina|Ketanest|Tekam|Ketalar base|2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone|2-(Methylamino)-2-(2-chlorophenyl)cyclohexanone|Ursotamin|KETAMINE HCL|Anaket v|Ketaminum [INN-Latin]|2-(o-Chlorophenyl)-2-(methylamino)-cyclohexanone|Cetamina [INN-Spanish]|Special K [street name]|Clorketam 1000|Ketasol 100|Imalgene 1000|ketamina|NSC 70151|Vetaket|EINECS 229-804-1|NSC-70151|Ketamine (INN)|UNII-690G0D6V8H|BRN 2216965|CHEBI:6121|100477-72-3|DTXSID8023187|cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-|HSDB 2180|690G0D6V8H|2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone|CHEMBL742|2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one|(+/-)-2-(o-Chlorophenyl)-2-(methylamino)cyclohexanone|DTXCID703187|Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (+-)-|Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (+-)-|KETAFOL COMPONENT KETAMINE|PMI-150|EC 229-804-1|2-(o-Chlorophenyl)-2-(methylamino)cyclohexanone|Ketamine-d4|Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-|DEA No. 7285|NCGC00159480-02|NCGC00159480-03|Ketaminum (INN-Latin)|Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (+/-)-|KETAMINE [INN]|Cetamina (INN-Spanish)|Ketamine Base|Special K (street name)|Ketamine [INN:BAN]|Ketoject|CAS-6740-88-1|Tekam (TN)|Ketaminum (Latin)|Ketolar (Salt/Mix)|Vetalar (Salt/Mix)|1246911-76-1|Kalipsol (Salt/Mix)|Ketanest (Salt/Mix)|KETAMINE [HSDB]|KETAMINE [MI]|KETAMINE [VANDF]|(.+/-.)-Ketamine|KETAMINE [WHO-DD]|Cyclohexanone, (.+-.)-|SCHEMBL16103|MLS001331674|DivK1c_000217|GTPL4233|(+/-)-2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone|SCHEMBL17084881|KBio1_000217|N01AX03|NINDS_000217|HMS2272G05|NSC70151|Tox21_111703|Tox21_111704|BDBM50044140|DB01221|IDI1_000217|SMR000238141|NS00000409|NS00116228|C07525|D08098|Q243547|2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone #|J-505587|(.+/-.)-2-(O-Chlorophenyl)-2-(methylamino)cyclohexanone|2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone(Ketamine)|Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)- (9CI)|Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (+-)- (9CI)|Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (.+/-.)-|Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (.+/-.)-|Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (+/-)- (8CI)
237.720
C13H16ClNO
29.100
269.000
2.200
16
1
2
2
InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
CNC1(CCCCC1=O)C2=CC=CC=C2Cl
CNC1(CCCCC1=O)C2=CC=CC=C2Cl
YQEZLKZALYSWHR-UHFFFAOYSA-N
2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
237.092
237.092
0
1
0
1
0
1
0
0
0
51416
120786
28786
2D+3D
Ketamine
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar
16
880|881|894|1030|1195|1379|1452|1457|1460|1463|1467|1468|1469|1471|1476|1477|1478|1479|1487|1490|1688|1766|1768|1865|1948|2101|2107|2112|2314|2315|2451|2472|2517|2528|2546|2549|2551|2662|21246|21247|21248|24432|27167|28681|29359|29811|110161|144466|144606|144832|146725|146726|156805|175137|175138|204690|222489|223455|225475|411793|480448|480449|480451|480452|480453|480455|480457|480460|480463|480464|485281|485290|488839|488862|488895|488896|488899|488965|488966|492953|492956|492961|492972|493005|493008|493087|493091|493098|493131|493160|493187|493244|496817|496818|496819|496820|496821|496823|496824|496825|496826|496827|496828|496829|496830|496831|496832|497005|504326|504327|504329|504332|504339|504357|504411|504414|504423|504441|504444|504454|504462|504490|504523|504558|504577|504582|504634|504648|504690|504692|504700|504707|504720|504734|504749|504766|504775|504803|504832|504834|504845|504847|504865|504884|504891|504894|504937|540209|540210|540211|540212|540213|540253|540263|540267|540295|540303|540308|540317|540336|540364|588211|588212|588213|588334|588335|588352|588354|588358|588391|588405|588413|588436|588453|588456|588458|588473|588475|588478|588489|588492|588493|588497|588499|588501|588549|588579|588590|588591|588621|588664|588674|588689|588692|588726|588727|588795|588814|588819|588834|588850|588852|588855|588856|589033|589039|590108|590109|602123|602141|602162|602163|602179|602229|602233|602244|602247|602248|602250|602252|602261|602274|602281|602310|602313|602329|602332|602340|602342|602346|602363|602393|602396|602399|602405|602410|602429|602438|602440|602449|602481|623870|623877|623901|624030|624031|624032|624037|624038|624040|624044|624125|624126|624127|624168|624169|624170|624171|624172|624173|624178|624202|624204|624246|624263|624267|624268|624288|624296|624297|624304|624330|624352|624354|624377|624414|624415|624416|624417|624418|624463|624464|624465|624466|624467|624483|625144|625145|625146|625147|625148|625149|625150|625151|625152|625153|625154|625155|625156|625157|625158|625159|625160|625161|625162|625163|625164|625165|625166|625167|625168|625169|625170|625171|625172|625173|625174|625175|625176|625177|625178|625179|625180|625181|625182|625183|625184|625185|625186|625187|625188|625189|625190|625191|625192|625193|625194|625195|625196|625197|625198|625199|625200|625201|625202|625203|625204|625205|625206|625207|625208|625209|625210|625211|625212|625213|625214|625215|625216|625217|625218|625219|625220|625221|625222|625223|625224|625225|625226|625227|625228|625229|625230|625231|625232|625233|625234|625235|625236|625237|625238|625239|625240|625241|625242|625243|625244|625245|625246|625247|625248|625249|625250|625251|625252|625253|625254|625255|625256|625257|625258|625259|625260|625261|625262|625263|625264|625265|625266|625267|625268|625269|625270|625271|625272|625273|625274|625275|625278|625279|625280|625281|625282|625283|625284|625285|625286|625287|625288|625289|625290|625291|625292|651550|651560|651572|651602|651616|651631|651632|651633|651634|651635|651636|651640|651644|651647|651654|651658|651661|651687|651699|651702|651710|651711|651718|651719|651723|651724|651725|651768|651800|651819|651820|651821|651957|651958|651965|651999|652010|652017|652025|652039|652048|652051|652054|652067|652104|652105|652106|652126|652141|652162|652163|652197|652257|679762|681116|686940|686964|686970|686971|686978|686979|686996|687014|687016|720504|720508|720509|720511|720516|720532|720533|720542|720543|720551|720552|720553|720579|720580|720582|720596|720634|720635|720637|720647|720648|720674|720675|720678|720679|720680|720681|720682|720683|720684|720685|720686|720687|720691|720692|720693|720700|720702|720704|720706|720707|720708|720709|720711|720719|720725|743012|743014|743015|743033|743035|743036|743040|743041|743042|743053|743054|743063|743064|743065|743066|743067|743069|743074|743075|743077|743078|743079|743080|743081|743083|743084|743085|743086|743091|743094|743122|743126|743139|743140|743244|743255|743266|743269|743279|743287|743398|765747|765748|765749|765750|765751|765752|765753|1053175|1053197|1079931|1079932|1079933|1079934|1079935|1079936|1079937|1079938|1079939|1079940|1079941|1079942|1079943|1079944|1079945|1079946|1079947|1079948|1079949|1097336|1108823|1108836|1108837|1108838|1108844|1108845|1117267|1117279|1117280|1124803|1159389|1159390|1159524|1159606|1224865|1257327|1259251|1259309|1259311|1259313|1259318|1259344|1259355|1259356|1259415|1272365|1296008|1342825|1345199|1346378|1346551|1346601|1346647|1346983|1346984|1346985|1346986|1346987|1347041|1347056|1347071|1347075|1347076|1347120|1347131|1443980|1456862|1473738|1473739|1473740|1473741|1474166|1474167|1502362|1508591|1508612|1525556|1583472|1602883|1602884|1602885|1602886|1602887|1645848|1645882|1645883|1645886|1645887|1671190|1671463|1671498|1692758|1692759|1692760|1692761|1692762|1692763|1692764|1692765|1692767|1692768|1692769|1692770|1692771|1692772|1692773|1692774|1692775|1692777|1692778|1692779|1692780|1692781|1692784|1692785|1692786|1692787|1692788|1692789|1692790|1692791|1692792|1692793|1692794|1692795|1692796|1692797|1692798|1692799|1692800|1692801|1692802|1692803|1692804|1692805|1692806|1692807|1692808|1702354|1702357|1745845|1909434|1909462|1909463|1920062
20050325
ABI Chem|Achemo Scientific Limited|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alsachim|Amadis Chemical|Ambinter|AN PharmaTech|ApexBio Technology|Aurora Fine Chemicals LLC|BenchChem|BePharm Ltd.|BIND|BindingDB|BioChemPartner|BioCrick|Biosynth|Boerchem|CCSbase|Changzhou Highassay Chemical Co., Ltd|ChEBI|ChemBank|Chembase.cn|ChEMBL|ChemDB|Chemhere|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemSpider|Clearsynth|Collaborative Drug Discovery, Inc.|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|CymitQuimica|Debye Scientific Co., Ltd|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|enviPath|EPA DSSTox|EPA Substance Registry Services|FDA Global Substance Registration System (GSRS)|Genetic Toxicology Data Bank (GENE-TOX)|Google Patents|Hairui Chemical|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|LeadScope|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Mcule|MLSMR|National Center for Advancing Translational Sciences (NCATS)|NextBio|NextMove Software|NINDS Approved Drug Screening Program|NIST Chemistry WebBook|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|NovoSeek|OChem|OXCHEM CORPORATION|PANACHE|Parchem|PATENTSCOPE (WIPO)|Probes & Drugs portal|PubChem Reference Collection|RR Scientific|SCRIPDB|Sigma-Aldrich|Small Molecule Screening Facility, UW Madison|Springer Nature|Starshine Chemical|SureChEMBL|Synblock Inc|THE BioTek|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Tocris Bioscience|Tox21|ToxPlanet|Wikidata|Wiley|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general|C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent|D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics|D002491 - Central Nervous System Agents > D000700 - Analgesics|D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents|D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
65064
Epigallocatechin Gallate
(-)-Epigallocatechin gallate|EGCG|989-51-5|Epigallocatechin gallate|Epigallocatechin 3-gallate|Tea catechin|Epigallocatechin-3-gallate|Teavigo|Epigallocatechin-3-monogallate|(-)-Epigallocatechin-3-o-gallate|(-)-epigallocatechin 3-gallate|PF-EGCg 90|(-)-Epigallocatechol gallate|NVP-XAA 723|CCRIS 3729|(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate|Catechin deriv.|UNII-BQM438CTEL|BQM438CTEL|epigallocatechin-3-O-gallate|CHEBI:4806|Epigallocatechingallate|Epigallocatechin-gallate|Epigallocatechol, 3-gallate, (-)-|(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate|CHEMBL297453|[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate|DTXSID1029889|[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate|Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester|EGCG cpd|(-)-Epigallocatechin Gallate (Standard)|(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate|Gallic acid, 3-ester with epigallocatechol, (-)-|DTXCID80567|(-)-cis-3,3',4',5,5',7-Hexahydroxy-flavane-3-gallate|epigallo-catechin gallate|(-)-cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate|Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester, (2R-cis)-|Benzoic acid, 3,4,5-trihydroxy-,(2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester|CAS-989-51-5|SMR000449288|SR-01000759328|(-)-EPIGALLOCATECHIN-3-O-GALLATE (USP-RS)|(-)-EPIGALLOCATECHIN-3-O-GALLATE [USP-RS]|L-Epigallocatechin gallate|Epigallocate|Sunphenon|EPIGALOCATECHIN GALLATE|(-)-EGCG|Epigallocic acid|Teatannin II|2kdh|3oob|4awm|(-)-epigallocatechin 3-O-gallate|KDH|Epigallocatcchin Gallate|Spectrum_000316|SpecPlus_000277|Spectrum2_000168|Spectrum3_000244|Spectrum4_001541|Spectrum5_000102|Galloyl-L-epigallocatechol|EGCG [WHO-DD]|EGCG [MI]|3-O-Galloylepigallocatechin|(-)-Epigallocatechin gallat|(-)-Epigallocatehin gallate|SCHEMBL35258|BSPBio_001628|epigallocatechin-gallate-(-)|KBioGR_002002|KBioSS_000796|SPECTRUM210239|cid_65064|MLS000758300|MLS001424000|DivK1c_006373|SPBio_000035|Epigallocatechin monogallate, B|GTPL7002|MEGxp0_001166|(-)-Epigallocatechin-3-gallate|ACon1_001054|KBio1_001317|KBio2_000796|KBio2_003364|KBio2_005932|KBio3_001128|HMS2051K21|HMS3649E08|3-O-Galloyl-(-)-epigallocatechin|EPIGALLOCATECHIN 3-O-GALLATE|Tox21_201468|Tox21_303457|BDBM50070942|CCG-38378|FR-109|HY-13653R|LMPK12030005|MFCD00075940|s2250|AKOS015918182|CS-1258|DB12116|DS-9030|EPIGALLOCATECHIN GALLATE [INCI]|NC00078|SDCCGMLS-0066550.P001|(-)-Epigallocatechin gallate, >=95%|(-)-Epigallocatechin-3-gallate; EGCG|NCGC00164319-01|NCGC00164319-02|NCGC00164319-03|NCGC00164319-04|NCGC00164319-06|NCGC00257243-01|NCGC00259019-01|(-)-Epigallocatechin gallate (85% (-)-epigallocatechin gallate, 10% (-)-epigallocatechin, 5% (-)- epicatechin gallate)|1ST40118|AC-34075|BP-30205|HY-13653|CS-0694875|E0694|NS00015163|SW197458-3|C09731|M01719|(-)-Epigallocatechin gallate, >=97.0% (HPLC)|(-)-Epigallocatechin gallate, analytical standard|A845931|Q393339|SR-01000946601|Q-100914|SR-01000759328-5|SR-01000759328-6|SR-01000946601-1|Epigallocatechin-3-gallate 1000 microg/mL in Acetonitrile|(-)-Epigallocatechin gallate, >=80% (HPLC), from green tea|Epigallocatechin gallate, primary pharmaceutical reference standard|((2R,3R)-2-(3,4,5-trihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl) 3,4,5-trihydroxybenzoate|(-)-Epigallocatechin-3-O-gallate, United States Pharmacopeia (USP) Reference Standard|(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl3,4,5-trihydroxybenzoate|[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 2,3,4-trihydroxybenzoate|Epigallocatechin gallate, Pharmaceutical Secondary Standard; Certified Reference Material|(-)-cis-3,4-Dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1(2H)-benzopyran-3-yl Gallate|(-)-EPIGALLOCATECHIN GALLATE (85% (-)-EPIGALLOCATECHIN GALLATE, 10% (-)-EPIGALLOCATECHIN, 5% (-)-EPICATECHIN GALLATE)|(-)-EPIGALLOCATECHIN-3-O-GALLATE (EGCG) (CONSTITUENT OF POWDERED DECAFFEINATED GREEN TEA EXTRACT)|(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl-3,4,5-trihydroxybenzoate|(2R-cis)-3,4-Dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl 3,4,5-Trihydroxybenzoate|[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl]3,4,5-trihydroxybenzoate|2041570-28-7|3,4-Dihydro-5,7-dihydroxy-2R-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3R-yl-3,4,5-trihydroxybenzoate
458.400
C22H18O11
197.000
667.000
1.200
33
8
11
4
InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
WMBWREPUVVBILR-WIYYLYMNSA-N
[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
458.085
458.085
0
1
0
2
2
0
0
0
0
12073
33603
12471
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
16
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20050624
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Aceschem Inc|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|Adooq BioScience|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Amadis Chemical|Ambeed|AN PharmaTech|Angene Chemical|AOBIOUS INC|ApexBio Technology|Assembly Blocks Pvt. Ltd.|AstaTech, Inc.|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|AvaChem Scientific|BenchChem|BePharm Ltd.|BindingDB|BioCyc|Biopurify Phytochemicals|Biosynth|BLD Pharm|BOC Sciences|Broad Institute|BroadPharm|Burnham Center for Chemical Genomics|C. David Weaver Laboratory, Vanderbilt University|Calbiochem|Carcinogenic Potency Database (CPDB)|CCSbase|CD Formulation|Center for Chemical Genomics, University of Michigan|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemFaces|Chemical Carcinogenesis Research Information System (CCRIS)|chemical genetic matrix|Chemical Probes Portal|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|Chemodex Ltd.|ChemProbes|ChemShuttle|ChemSpider|Chen Lab, School of Medicine, Emory University|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|CSNpharm|Cure First|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|DrugBank|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|EMD Millipore|eMolecules|Emory University Molecular Libraries Screening Center|eNovation Chemicals|EPA DSSTox|EPA Substance Registry Services|EvitaChem|FDA Global Substance Registration System (GSRS)|Fisher Drug Discovery Resource Center|FondChemical Co., Ltd|Glentham Life Sciences Ltd.|GlyTouCan Project|Google Patents|Gulick Lab, Department of Structural Biology, University at Buffalo|Guri Giaever, Pharmaceutical Sciences, University of British Columbia|Hangzhou APIChem Technology|Herbest Bio-Tech|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|ISpharm|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|labseeker|LeadScope|LGC Standards|LIPID MAPS|MassBank Europe|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milwaukee Institute for Drug Discovery|MLSMR|Molecule Market|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|Nature Chemical Biology|Nature Science Technologies Ltd|NCBI Structure|NextBio|NextMove Software|NIAID ChemDB|NIH Clinical Collection|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|NovoSeek|Oakwood Products|OChem|ORST SMALL MOLECULE SCREENING CENTER|OXCHEM CORPORATION|Paczesny and Yang Labs, IUPUI and University of Michigan|Parchem|PATENTSCOPE (WIPO)|Probes & Drugs portal|Protein Data Bank in Europe (PDBe)|Prous Science Drugs of the Future|PubChem Reference Collection|R&D Chemicals|RR Scientific|Santa Cruz Biotechnology, Inc.|Santagata Laboratory - Brigham and Women's Hospital and Harvard Medical School|SCRIPDB|Selleck Chemicals|Shanghai Institute of Organic Chemistry|Sigma-Aldrich|Small Molecule Screening Facility, UW Madison|Smolecule|Springer Nature|Starshine Chemical|SureChEMBL|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|The Scripps Research Institute Molecular Screening Center|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|TimTec|Tocris Bioscience|Tox21|ToxPlanet|Uchem Meditech|UCSC Chemical Screening Center|University of Iowa High-Throughput Screening Core (UIHTS)|VladaChem|VWR, Part of Avantor|Wikidata|Wiley|Wilshire Technologies|Win-Win Chemical|Wolves R&D chemical|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D020011 - Protective Agents > D000975 - Antioxidants|D020011 - Protective Agents > D016588 - Anticarcinogenic Agents|D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents|D000970 - Antineoplastic Agents|D020011 - Protective Agents > D016587 - Antimutagenic Agents|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
5311101
Fluticasone
fluticasone|90566-53-3|Fluticasona|Fluticasonum|Fluticaps|Fluticaps (TN)|Fluticasone (INN)|Fluticasone, Inhaled|Optinose|UNII-CUT2W21N7U|CUT2W21N7U|Fluticasone, topical|CHEBI:5134|Fluticasonum [Latin]|HSDB 7740|Opn-375|S-(fluoromethyl) (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate|DTXSID0044022|Fluticasonum (Latin)|FLUTICASONE [INN]|FLUTICASONE (MART.)|FLUTICASONE [MART.]|Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxo-, S-(fluoromethyl) ester, (6alpha,11beta,16alpha,17alpha)-|S-(fluoromethyl) (6alpha,11beta,16alpha,17alpha)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioate|Fluticasona [Spanish]|Fluticasone [INN:BAN]|Fluticason|Fluticasone?|Flonase.|FLUTICASONE [HSDB]|FLUTICASONE [VANDF]|SCHEMBL4069|FLUTICASONE [WHO-DD]|BIDD:GT0819|GTPL6699|CHEMBL1201396|DTXCID60820064|BDBM589230|EX-A4418|HY-B0603|AC-456|DB13867|CS-0009547|C07815|D07981|US11554172, Compound Fluticasone-Propionate|EN300-19800841|Q1002165|(1R,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-5,9b-difluoro-1-{[(fluoromethyl)sulfanyl]carbonyl}-1,10-dihydroxy-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one|(6alpha,11beta,16alpha,17alpha)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)androsta-1,4-diene-17-carbothiolic-S-(fluoromethyl)ester|S-(FLUOROMETHYL) (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-6,9-DIFLUORO-11,17-DIHYDROXY-16-METHYL-3-OXOANDROSTA-1,4-DIENE-17-CARBOTHIOATE|S-fluoromethyl6alpha,9alpha-difluoro-11beta-hydroxy-16alpha-methyl-17alpha-propionyloxy-3-oxoandrosta-1,4-diene-17beta-carbothioate
444.500
C22H27F3O4S
99.900
861.000
3.200
30
2
8
3
InChI=1S/C22H27F3O4S/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)30-10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)O)C)O)F)C)F
CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)SCF)O)C)O)F)C)F
MGNNYOODZCAHBA-GQKYHHCASA-N
S-(fluoromethyl) (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate
444.158
444.158
0
1
0
9
9
0
0
0
0
7128
43150
8431
2D+3D
Fluticasone
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
311524|588214|588215|588216|588217|588218|588219|589039|625279|625280|625281|625282|625283|625284|625285|625286|625287|625288|625289|625290|625291|625292|639693|639736|1346849|1363681|1363682|1919220
20051216
A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABI Chem|Achemtek|Acorn PharmaTech Product List|AK Scientific, Inc. (AKSCI)|Alfa Chemistry|BIDD|BindingDB|Boerchem|ChEBI|ChEMBL|Chemenu Inc.|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|ChemMol|ChemSpider|CymitQuimica|DC Chemicals|DiscoveryGate|DrugBank|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|Enamine|EPA DSSTox|Excenen Pharmatech|FDA Global Substance Registration System (GSRS)|Fragmenta|Google Patents|Hangzhou APIChem Technology|IBM|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|LGC Standards|MedChemexpress MCE|Metabolomics Workbench|Molecule Market|NextBio|NextMove Software|NORMAN Suspect List Exchange|OChem|PATENTSCOPE (WIPO)|Probes & Drugs portal|PubChem Reference Collection|RR Scientific|SCRIPDB|Springer Nature|Starshine Chemical|SureChEMBL|Therapeutic Target Database (TTD)|Thomson Pharma|ToxPlanet|Wikidata|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone|R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03B - Other drugs for obstructive airway diseases, inhalants > R03BA - Glucocorticoids|C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid|D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents|D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AC - Corticosteroids, potent (group iii)|D018926 - Anti-Allergic Agents|D003879 - Dermatologic Agents|R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AD - Corticosteroids|D000893 - Anti-Inflammatory Agents|D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
5281232
Crocetin
Crocetin|Transcrocetin|27876-94-4|trans-Crocetin|8,8'-Diapocarotenedioic acid|Transcrocetinate|(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid|Transcrocetin [INN]|8,8'-Diapo-psi,psi-carotenedioic acid|8,8-Diapocarotenedioic acid|Transcrocetinic acid|8,8'-Diapocarotene-8,8'-dioic acid|CI 75100|LEAF-4L7520|Transcrocetin [USAN]|CHEBI:3918|CHEMBL464792|LEAF-4L6715|20TC155L9C|27876-94-4 (free acid)|8,8'-diapo-8,8'-carotenedioic acid|NSC-407300|CI-75100|alpha-Crocetin|8022-19-3|.alpha.-Crocetin|CCRIS 7484|(2Z,4E,6Z,8E,10Z,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid|EINECS 248-708-0|NSC 407300|alpha Crocetin|Transcrocetin?|NSC407300|CROCETIN [INCI]|CROCETIN [MI]|trans-Crocetin - 98%|8,8'-Diapo-.psi.,.psi.-carotenedioic acid|Croceic Acid; Transcrocetin|Transcrocetin [USAN:INN]|2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, (all-E)-|Saffron C.I. 75100|SCHEMBL20977|(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-Tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioic acid|UNII-20TC155L9C|TRANSCROCETIN [WHO-DD]|8,8''-diapocarotenedioic acid|CI 75100 [INCI]|DTXSID201015585|HY-N2072|WHO 9931|BDBM50269617|MFCD00017359|MFCD00064590|AKOS022186332|1ST2458|DB05974|LMPR0104010020|8,8''-diapo-psi,psi-carotenedioic acid|8,8''-diapo-8,8''-carotenedioic acid|AC-35087|AS-59348|LS-14790|CS-0018577|C08588|LEAF-4L6715 COMPONENT TRANSCROCETINATE|A819224|Q-100354|Q2714546|TRANSCROCETINATE LIPOSOMAL COMPONENT OF LEAF-4L6715|2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-|Crocetintrans-Crocetin; 8,8'-Diapocarotenedioic acid; Transcrocetinate|(ALL-E)-2,6,11,15-TETRAMETHYLHEXADECA-2,4,6,8,10,12,14-HEPTAENEDIOIC ACID|2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-,(all-E)-|(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid8,8''-diapocarotene-8,8''-dioic acid|(2Z,4E,6Z,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid;Crocetin|2,4,6,8,10,12,14-HEXADECAHEPTAENEDIOIC ACID, 2,6,11,15-TETRAMETHYL-, (2E,4E,6E,8E,10E,12E,14E)-|504-39-2
328.400
C20H24O4
74.600
608.000
5.400
24
2
4
8
InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+
C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O)/C)/C)/C=C/C=C(/C(=O)O)\C
CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O
PANKHBYNKQNAHN-MQQNZMFNSA-N
(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
328.167
328.167
0
1
0
0
0
0
7
7
0
1066
3546
1542
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active
16
403341|725307|1259409|1621005|1621006|1621007|1621008|1621009|1621081
20050624
001Chemical|10X CHEM|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|Ace Therapeutics|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|AKos Consulting & Solutions|Alfa Chemistry|Amadis Chemical|Ambeed|Ambinter|AstaTech, Inc.|AvaChem Scientific|BenchChem|Bic Biotech|BindingDB|BioCrick|BioCyc|Biopurify Phytochemicals|Biosynth|BLD Pharm|BOC Sciences|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|ChemFaces|Chemical Carcinogenesis Research Information System (CCRIS)|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|ChemSpider|Collaborative Drug Discovery, Inc.|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|CSNpharm|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|DrugBank|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|eNovation Chemicals|EPA DSSTox|EvitaChem|FDA Global Substance Registration System (GSRS)|Glentham Life Sciences Ltd.|Google Patents|Hangzhou APIChem Technology|Human Metabolome Database (HMDB)|iChemical Technology USA Inc|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|LabNetwork, a WuXi AppTec Company|labseeker|LeadScope|LGC Standards|LIPID MAPS|MassBank of North America (MoNA)|Mcule|MedChemexpress MCE|Metabolomics Workbench|Molepedia|MolPort|MuseChem|NextBio|NIAID ChemDB|NovoSeek|PATENTSCOPE (WIPO)|Probes & Drugs portal|R&D Chemicals|RR Scientific|SCRIPDB|Smolecule|Springer Nature|Starshine Chemical|SureChEMBL|TargetMol|THE BioTek|Therapeutic Target Database (TTD)|Thomson Pharma|ToxPlanet|Wikidata|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D020011 - Protective Agents > D016588 - Anticarcinogenic Agents|D000970 - Antineoplastic Agents|D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
9403
Estradiol Cypionate
estradiol cypionate|313-06-4|Depofemin|Depoestradiol|Depo-Estradiol|Depoestra|Estradep|Estrapo|Estro-Depo|Dep-Estro|Femogen CYP|Depoestradiol cypionate|Estradiol 17-cypionate|beta-Estradiol 17-cypionate|depGynogen|Pertradiol|Estradiol cyclopentylpropionate|E. Ionate P.A.|Neoginon Depositum|Estradiol (cypionate)|Estradiol 17-cyclopentylpropionate|Depo-estradiol cyclopentylpropionate|Estradiol cipionate|Estradiol 17beta-cypionate|NSC 3354|Cyclopentanepropionic acid, 17-ester with estradiol|NSC-3354|EINECS 206-237-8|Estradiol, 17-cyclopentanepropionate|Estradiol 17beta-cylopentylpropionate|UNII-7E1DV054LO|Estradiol 17beta-cyclopentanepropionate|BRN 3171075|7E1DV054LO|DTXSID4022999|17beta-Estradiol 17-cyclopentylpropionate|NSC3354|Estradiol cypionate (USP)|Estradiol cypionate [USP]|17.beta.-Estradiol cypionate|Estradiol 17.beta.-cypionate|DTXCID302999|CHEBI:34745|4-09-00-00047 (Beilstein Handbook Reference)|Estra-1,3,5(10)-triene-3,17-diol(17b)-, 17-cyclopentanepropanoate|MFCD00056558|Estradiol 17beta-cyclopentylpropionate|17.beta.-Estradiol cyclopentylpropionate|Estradiol 17.beta.-cyclopentylpropionate|17.beta.-Estradiol cyclopentanepropionate|Estradiol 17.beta.-cyclopentanepropanoate|Estradiol 17.beta.-cyclopentanepropionate|ESTRADIOL-17-CYCLOPENTANEPROPIONATE|LUNELLE COMPONENT ESTRADIOL CYPIONATE|17.beta.-Estradiol 17-cyclopentylpropionate|Cyclopentanepropionic acid, 3-hydroxyestra-1,3,5(10)-trien-17beta-yl ester|Estra-1,3,5(10)-triene-3,17-diol, (17beta)-, 17-cyclopentanepropanoate|ESTRADIOL CYPIONATE COMPONENT OF LUNELLE|DEPO-TESTADIOL COMPONENT ESTRADIOL CYPIONATE|ESTRADIOL CYPIONATE COMPONENT OF DEPO-TESTADIOL|ESTRADIOL CIPIONATE (MART.)|ESTRADIOL CIPIONATE [MART.]|ESTRADIOL CYPIONATE (USP-RS)|ESTRADIOL CYPIONATE [USP-RS]|ECP (VAN)|CAS-313-06-4|SMR000058700|ESTRADIOL CYPIONATE (USP MONOGRAPH)|ESTRADIOL CYPIONATE [USP MONOGRAPH]|Estradiol 17-cyclopentanepropionate|Depestro|Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, 17-cyclopentanepropanoate|estradiol-cypionate|NCGC00166134-01|Depo-estradiol (TN)|Estradiol Cypionate salt|ESTRADIOLI CYPIONAS|SCHEMBL41551|MLS000069763|MLS001074891|17beta-Estradiol 17-cypionate|CHEMBL1200973|HMS2234K11|ESTRADIOL CYPIONATE [VANDF]|(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl 3-cyclopentylpropanoate|BCP11930|HY-B1100|Tox21_110003|Tox21_112331|Tox21_301818|Estra-1,3,5(10)-triene-3,17beta-diol 17-(cyclopentanepropionate)|ESTRADIOL CIPIONATE [WHO-DD]|ESTRADIOLI CYPIONAS [WHO-IP]|s4046||A-Estradiol 17-Cyclopentylpropionate|AKOS015895730|Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclopentanepropanoate|Tox21_112331_1|.BETA.-ESTRADIOL 17-CYPIONATE|beta-Estradiol 17-Cyclopentylpropionate|CCG-268613|CS-4691|DB13954|KS-5296|Estradiol 17.beta.-cylopentylpropionate|ESTRADIOL CYPIONATE [ORANGE BOOK]|NCGC00013034-01|NCGC00166134-02|NCGC00166134-03|NCGC00255333-01|(1S,11S,14S,15S,10R)-5-hydroxy-15-methyltetracyclo[8.7.0.0<2,7>.0<11,15>]hepta deca-2,4,6-trien-14-yl 3-cyclopentylpropanoate|NCI60_002938|E0875|ESTRADIOL 17beta-CYCLOPENTANEPROPANOATE|NS00022039|D04063|EN300-19734590|Q5401760|W-106910|ESTRADIOL 17.BETA.-CYCLOPENTANEPROPANOATE [MI]|1,3,5(10)-Estratriene-3,17beta-diol 17-cyclopentylpropionate|3,17beta-Hydroxy-1,3,5(10)-estratriene 17-cyclopentylpropionate|(17?)-3-Hydroxyestra-1,3,5(10)-trien-17-yl 3-cyclopentylpropanoate|(17beta)-3-hydroxyestra-1(10),2,4-trien-17-yl 3-cyclopentylpropanoate|17.beta.-[(3-Cyclopentylpropanoyl)oxy]estra-1,3,5(10)-trien-3-ol|Estra-1,5(10)-triene-3,17-diol (17.beta.)-, 17-cyclopentanepropanoate|Estra-1,5(10)-triene-3,17-diol, (17.beta.)-, 17-cyclopentanepropanoate|Estradiol cypionate, United States Pharmacopeia (USP) Reference Standard|(17.beta.)-Estra-1,3,5(10)-triene-3,17-diol 17.beta.-cyclopentanepropanoate|Cyclopentanepropionic acid, 3-hydroxyestra-1,3,5(10)-trien-17.beta.-yl ester|Estra-1,3,5(10)-triene-3,17-diol, (17.beta.)-, 17-cyclopentanepropanoate|(1S,3aS,3bR,9bS,11aS)-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl 3-cyclopentylpropanoate
396.600
C26H36O3
46.500
597.000
7.100
29
1
3
5
InChI=1S/C26H36O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3/t21-,22-,23+,24+,26+/m1/s1
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=C3C=CC(=C5)O
CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=C3C=CC(=C5)O
UOACKFBJUYNSLK-XRKIENNPSA-N
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate
396.266
396.266
0
1
0
5
5
0
0
0
0
452
4147
1103
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
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20050326
A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|AEchem Scientific Corp., USA|AKos Consulting & Solutions|Alfa Chemistry|Anward|ApexBio Technology|AstaTech, Inc.|Aurora Fine Chemicals LLC|BenchChem|BioChemPartner|BioCrick|Biosynth|BLD Pharm|BOC Sciences|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chem-Space.com Database|ChemBank|Chembase.cn|ChEMBL|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|Collaborative Drug Discovery, Inc.|Comparative Toxicogenomics Database (CTD)|CymitQuimica|Davey Lab, Department of Microbiology, NEIDL, Boston University|DC Chemicals|DiscoveryGate|DrugBank|DrugCentral|DTP/NCI|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|Enamine|eNovation Chemicals|EPA DSSTox|FDA Global Substance Registration System (GSRS)|Glentham Life Sciences Ltd.|Google Patents|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Keith Lab, Institute of Cancer Science, University of Glasgow|Key Organics/BIONET|LabNetwork, a WuXi AppTec Company|LeadScope|LGC Standards|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|MLSMR|Molecule Market|Molepedia|MolPort|MTDP|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NextBio|NextMove Software|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|NovoSeek|OChem|PATENTSCOPE (WIPO)|Petrascheck Lab, The Scripps Reserach Institute, Department of Molecular Medicine|Phion Ltd|Pi Chemicals|Probes & Drugs portal|PubChem Reference Collection|RR Scientific|Selleck Chemicals|SHANDONG OCTAGON CHEMICALS LIMITED|Sigma-Aldrich|Small Molecule Screening Facility, UW Madison|Springer Nature|Starshine Chemical|SureChEMBL|TargetMol|TCI (Tokyo Chemical Industry)|THE BioTek|Thieme Chemistry|Thomson Pharma|TimTec|Tox21|ToxPlanet|Uchem Meditech|VladaChem|Wikidata|Wolves R&D chemical|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents|C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen|D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones|C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
33741
Tramadol
Tramadol|(+)-Tramadol|27203-92-5|Ralivia flashtab|123154-38-1|Ralivia ER|Tramadon|Racemic tramadol|Tramadolum [INN-Latin]|Biomadol|Contramid|Labesfal|Tradolan|Tramadis|Tramadolum|Tramaliv|Trapidol|cis-Tramadol|Tradonal odis|Tramadol Contramid|(+-)-Tramadol|(+/-)-tramadol|Tiparol|Amanda|181289-58-7|EINECS 248-319-6|UNII-39J1LGJ30J|39J1LGJ30J|Tramadol, (+)-|CG 315E|0NG5TTM63P|(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol|U 26255A|E 265|CHEBI:75725|Cyclohexanol, 2-((dimethylamino)methyl)-1-(m-methoxyphenyl)-|HSDB 7047|CG-315E|DTXSID90858931|ETS6103|(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol|Cyclohexanol, 2-((dimethylamino)methyl)-1-(3-methoxyphenyl)-, cis-(+-)-|ETS-6103|Tramadol (INN)|Ryzolt|E265|U-26255A|Zytram|TRAMADOL [INN]|Tramadolum (INN-Latin)|(+)-trans-2-(Dimethylaminomethyl)-1-(m-methoxyphenyl)cyclohexanol|E-265|Cyclohexanol, 2-((dimethylamino)-1-(3-methoxyphenyl)-, cis-(+-)-|Maxitram|Tilodol|Tramadol [INN:BAN]|CHEMBL201531|(1R,2R)-2-((dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexanol|NCGC00159343-02|(+)-(R,R)-trans-|tramadolo|cis tramadol|(+)-trans-Tramadol free base|Rel-Tramadol|(1R,2R)-2-((dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexan-1-ol|(r,r)-tramadol|(R,R) tramadol|Tramadolum (Latin)|Amanda (TN)|TRAMADOL [JAN]|TRAMADOL [MI]|TRAMADOL [VANDF]|sustained-release tramadol|E 382|TRAMADOL [WHO-DD]|UNII-0NG5TTM63P|SCHEMBL7464|CHEMBL1066|MLS000333190|BIDD:GT0075|CHEBI:9648|(1RS,2RS)-2-((dimethylamino)methyl)-1-(3-methoxyphenyl)-cyclo-hexanol|(+)-(R,R)-TRAMADOL|DTXCID20809618|N02AX02|DTXSID401167150|HMS2090D10|HMS2803D04|BDBM50176259|AKOS005066335|Cyclohexanol, 2-(dimethylaminomethyl)-1-(m-methoxyphenyl)-, (+)-(E)-|Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, (1R,2R)-rel-|DB00193|SMR000436547|NS00000338|C07153|D08623|AB00640024-11|Q407592|(+-)-2-((dimethylamino)methyl)-1-(3-methoxyphenyl)cyclohexanol|(1R,2R)-2-(dimethylaminomethyl)-1-(3-methoxyphenyl)-cyclohexanol|(1R,2R)-2-Dimethylaminomethyl-1-(3-methoxy-phenyl)-cyclohexanol|(1R,2R)-2-[(dimethylamino)methyl]-1-[3-(methyloxy)phenyl]cyclohexanol|Cyclohexanol-2-((dimethylamino)methyl)-1-(3-methoxyphenyl)-, trans-(+-)-|(+/-)-CIS-2-((DIMETHYLAMINO)METHYL)-1-(M-METHOXYPHENYL)CYCLOHEXANOL
263.370
C16H25NO2
32.700
282.000
2.600
19
1
3
4
InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O
CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O
TVYLLZQTGLZFBW-ZBFHGGJFSA-N
(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
263.189
263.189
0
1
0
2
2
0
0
0
0
15801
52263
11123
2D+3D
Tramadol
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar
16
485|781|782|798|800|873|880|881|894|940|1021|1022|1030|1046|1085|1195|1230|1236|1242|1274|1304|1321|1359|1376|1377|1379|1381|1385|1415|1416|1422|1423|1424|1430|1434|1439|1440|1441|1443|1445|1446|1448|1452|1454|1456|1457|1460|1461|1463|1465|1466|1467|1468|1469|1471|1476|1477|1478|1479|1481|1486|1487|1490|1496|1509|1510|1511|1515|1527|1529|1530|1531|1554|1556|1565|1566|1578|1619|1621|1625|1626|1628|1631|1634|1654|1656|1662|1663|1665|1672|1688|1700|1706|1721|1722|1766|1768|1775|1778|1779|1789|1800|1813|1814|1817|1822|1825|1832|1845|1850|1861|1863|1865|1868|1875|1885|1899|1903|1906|1910|1918|1947|1948|1950|1956|1961|1962|1974|1979|1984|1986|1987|1996|2006|2012|2013|2014|2016|2023|2025|2029|2052|2057|2058|2066|2071|2073|2094|2097|2098|2099|2100|2101|2107|2112|2129|2130|2147|2156|2174|2177|2216|2221|2227|2234|2235|2237|2239|2242|2247|2280|2288|2289|2300|2314|2315|2326|2380|2391|2435|2445|2451|2462|2472|2517|2520|2521|2524|2528|2540|2544|2546|2549|2550|2551|2553|2557|2563|2599|2606|2629|2642|2648|2650|2661|2662|2676|2685|2690|2716|2717|2718|2732|2751|2796|2797|2805|2806|2825|434955|434962|434973|434989|435003|435005|435022|435030|449728|449762|449763|463075|463079|463082|463104|463111|463115|463141|463165|463187|463190|463195|463210|463212|463254|485270|485272|485273|485275|485281|485290|485294|485297|485298|485313|485314|485317|485341|485344|485346|485347|485349|485353|485358|485360|485364|485367|488837|488839|488847|488862|488890|488895|488896|488899|488922|488965|488966|488975|488977|489030|489031|492947|492953|492956|492961|492972|493005|493008|493011|493012|493014|493036|493056|493084|493087|493091|493098|493131|493160|493187|493244|504326|504327|504329|504332|504333|504339|504357|504406|504408|504411|504414|504423|504441|504444|504454|504462|504466|504467|504490|504523|504558|504577|504582|504621|504634|504648|504651|504652|504660|504690|504692|504700|504706|504707|504720|504734|504749|504766|504775|504803|504810|504812|504832|504834|504842|504845|504847|504865|504884|504891|504894|504937|540253|540256|540263|540267|540275|540276|540277|540295|540303|540308|540317|540336|540364|588334|588335|588342|588352|588354|588358|588391|588405|588413|588436|588453|588456|588458|588473|588475|588478|588489|588492|588493|588497|588499|588501|588511|588549|588579|588590|588591|588621|588627|588664|588674|588675|588676|588689|588692|588726|588727|588795|588814|588819|588850|588852|588855|588856|602123|602141|602162|602163|602179|602229|602233|602244|602247|602248|602250|602252|602261|602274|602281|602310|602313|602332|602346|602396|602399|602410|602429|602438|602440|602449|623870|623877|624030|624031|624032|624037|624038|624040|624044|624125|624126|624127|624168|624169|624170|624171|624172|624173|624178|624202|624204|624246|624256|624263|624267|624268|624287|624288|624291|624296|624297|624304|624330|624349|624352|624354|624377|624414|624415|624416|624417|624418|624463|624464|624465|624466|624467|624483|651550|651560|651572|651582|651602|651610|651635|651636|651640|651644|651647|651658|651661|651699|651702|651704|651710|651711|651718|651719|651724|651725|651800|651819|651820|651821|651828|651957|651958|651999|652010|652017|652025|652039|652048|652051|652054|652067|652104|652105|652106|652115|652126|652154|652162|652163|652197|652257|686940|686964|686970|686971|686978|686979|686992|686996|687014|687016|720504|720508|720509|720511|720542|720543|720551|720553|720579|720580|720582|720596|720641|720647|720648|720700|720702|720704|720706|720707|720708|720709|720711|720717|743093|743126|743238|743247|743255|743266|743269|743279|743287|743397|743398|743445|1053175|1053197|1117319|1159524|1159583|1159606|1159607|1224863|1224865|1224905|1259309|1259311|1259313|1259318|1259325|1259397|1259398|1259400|1259415|1259423|1272365|1303074|1303075|1303077|1303079|1303084|1346378|1347041|1347056|1347071|1347075|1347076|1347080|1347120|1347131|1347165|1508586|1526751|1526752|1573872|1645843|1671190|1671463|1689586|1689587|1689588|1689592|1745845|1918969|1918990|1920062
20050624
001Chemical|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AbaChemScene|ABBLIS Chemicals|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Product List|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alsachim|AN PharmaTech|Aurora Fine Chemicals LLC|Aurum Pharmatech LLC|BenchChem|BePharm Ltd.|BIDD|BindingDB|Biosynth|Boerchem|C. David Weaver Laboratory, Vanderbilt University|CCSbase|Center for Chemical Genomics, University of Michigan|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chembase.cn|ChEMBL|Chemenu Inc.|ChemExper Chemical Directory|Chemhere|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemSpider|ChemTik|Chiralblock Biosciences|Clearsynth|Clinivex|Collaborative Drug Discovery, Inc.|Comparative Toxicogenomics Database (CTD)|CymitQuimica|DiscoveryGate|Drug Induced Liver Injury Rank (DILIrank) Dataset|DrugBank|DrugCentral|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|EPA DSSTox|EPA Substance Registry Services|EvitaChem|FDA Global Substance Registration System (GSRS)|Finetech Industry Limited|Fisher Drug Discovery Resource Center|Google Patents|Hairui Chemical|Hangzhou APIChem Technology|Hangzhou Trylead Chemical Technology|Horrigan Lab, Baylor College of Medicine|Human Metabolome Database (HMDB)|IBM|ICCB-Longwood Screening Facility, Harvard Medical School|iChemical Technology USA Inc|Innovapharm|ISpharm|J&H Chemical Co.,ltd|Jamson Pharmachem Technology|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|labseeker|LeadScope|LGC Standards|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Milbrandt Lab, Department of Genetics, Washington University School of Medicine|Milwaukee Institute for Drug Discovery|MLSMR|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NextBio|NextMove Software|NIH Clinical Collection|NORMAN Suspect List Exchange|Novartis Institutes for BioMedical Research|NovoSeek|OChem|OXCHEM CORPORATION|Parchem|PATENTSCOPE (WIPO)|Probes & Drugs portal|PubChem Reference Collection|RR Scientific|SCRIPDB|Sigma-Aldrich|Small Molecule Screening Facility, UW Madison|Smolecule|Southern Research Institute|Springer Nature|Starshine Chemical|SureChEMBL|THE BioTek|The Scripps Research Institute Molecular Screening Center|Thieme Chemistry|Thomson Pharma|Tox21|ToxPlanet|Tractus|University of Kansas High Throughput Screening Laboratory|VWR, Part of Avantor|Wikidata|Wiley|xPharm: The Comprehensive Pharmacology Reference|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|Yuhao Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics|C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent|D002491 - Central Nervous System Agents > D000700 - Analgesics|D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents|N - Nervous system > N02 - Analgesics > N02A - Opioids|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
172198
angiotensin II
ANGIOTENSIN II|4474-91-3|Angiotensin II human|Hypertensin|Human angiotensin II|Angiotensin II (human)|Ang II|5-L-Isoleucineangiotensin II|Angiotensin II, human|5-Isoleucine-angiotensin II|Angiotensin II (mouse)|Giapreza|Asp-Arg-Val-Tyr-Ile-His-Pro-Phe|1-8-Angiotensin I|Ile(5)-angiotensin II|Isoleucine5-angiotensin II|CHEBI:2719|Delivert|ANG-(1-8)Octapeptide|isoleucine(5)-angiotensin II|UNII-M089EFU921|DRVYIHPF|Ile5-angiotensin II|Angiotensin II, 5-L-isoleucine-|1-L-Aspasaginyl-5-L-valyl angiotensin octapeptide|Angiotensin II (human type)|CHEMBL408403|LJPC-501|Angiotensinum II|L-alpha-aspartyl-L-arginyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine|L-Phenylalanine, N-(1-(N-(N-(N-(N-(N2-L-alpha-aspartyl-L-arginyl)-L-valyl)-L-tyrosyl)-L-isoleucyl)-L-histidyl)-L-prolyl)-|N-(1-(N-(N-(N-(N-(N(2)-L-alpha-aspartyl-L-arginyl)-L-valyl)-L-tyrosyl)-L-isoleucyl)-L-histidyl)-L-prolyl)-L-phenylalanine|(2S,5S,8S,11S,14S,17S)-2-((1H-imidazol-5-yl)methyl)-17-amino-5-((S)-sec-butyl)-1-((S)-2-(((S)-1-carboxy-2-phenylethyl)carbamoyl)pyrrolidin-1-yl)-14-(3-((diaminomethylene)amino)propyl)-8-(4-hydroxybenzyl)-11-isopropyl-1,4,7,10,13,16-hexaoxo-3,6,9,12,15-pentaazanonadecan-19-oic acid|(3S)-3-AMINO-3-{[(1S)-4-CARBAMIMIDAMIDO-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-CARBOXY-2-PHENYLETHYL]CARBAMOYL}PYRROLIDIN-1-YL]-3-(1H-IMIDAZOL-4-YL)-1-OXOPROPAN-2-YL]CARBAMOYL}-2-METHYLBUTYL]CARBAMOYL}-2-(4-HYDROXYPHENYL)ETHYL]CARBAMOYL}-2-METHYLPROPYL]CARBAMOYL}BUTYL]CARBAMOYL}PROPANOIC ACID|Alanine, N-(1-(N-(N-(N-(N-(N2-L-alpha-aspartyl-L-arginyl)-L-valyl)-L-tyrosyl)-L-isoleucyl)-L-histidyl)-L-prolyl)-3-phenyl-, L-|Angiotensinum II (INN-Latin)|Angiotensina II (INN-Spanish)|Angiotensin II, ile(5)-|Angiotensin ii [INN:JAN]|angiotensine II|Angiotensin 2|Angiotensin-(1-8) Octapeptide|Delivert (TN)|C50H71N13O12|Angiotensin II heavy|Angiotensin II (9CI)|Angiotensin II (USAN)|ANGIOTENSINII,HUMAN|SCHEMBL1189|Angiotensin II (acetate);Ang II (acetate);DRVYIHPF (acetate)|GTPL2504|SCHEMBL9013957|DTXSID4036778|SCHEMBL20502357|CHEBI:48432|C01CX09|DTXSID30196288|CHEBI:131170|ty-10721|M089EFU921|Angiotensin II (human type) (JAN)|BDBM50228195|BDBM50236697|HB3488|AKOS016010178|DB11842|NCGC00167130-01|HY-13948|NS00074073|Asp1-Arg2-Val3-Tyr4-Ile5-His6-Pro7-Phe8|C02135|C75211|D02014|DRVY-I*-HPF [I*= I(13C6,15N)]|A872469|EN300-19742056|Q412999|32044-01-2, 4474-91-3 (salt)|ANG-(1-8)Octapeptide, Hypertensin, 4474-91-3, Giapreza|Conalbumin (328-332), 1226776-54-0, RVPSL peptide|ProteoMass(TM) Angiotensin II MALDI-MS Standard, vial of 10 nmol|(2S,5S,8S,11S,14S,17S)-2-((1H-imidazol-4-yl)methyl)-17-amino-5-((S)-sec-butyl)-1-((S)-2-(((S)-1-carboxy-2-phenylethyl)carbamoyl)pyrrolidin-1-yl)-14-(3-guanidinopropyl)-8-(4-hydroxybenzyl)-11-isopropyl-1,4,7,10,13,16-hexaoxo-3,6,9,12,15-pentaazanonadecan-19-oic acid|(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]carbamoyl}propanoic acid|L-phenylalanine, L-alpha-aspartyl-L-arginyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-
1046.200
C50H71N13O12
409.000
1980.000
-1.700
75
13
15
29
InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N
CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N
CZGUSIXMZVURDU-JZXHSEFVSA-N
(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
1045.53
1045.53
0
1
0
9
9
0
0
0
0
38763
55136
17279
2D
Angiotensin II
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
16
1469|1477|1479|1490|1766|1768|2101|2107|2112|2314|2315|2451|2472|2517|2528|2546|2549|2551|24867|37530|37687|37702|37813|37822|37823|37824|37832|37844|37983|38135|38137|38138|38147|38149|39205|39206|39337|39346|39347|39363|39646|39647|165406|165418|165420|165422|166988|166989|167278|167344|167350|167449|167536|167602|168567|169065|224183|239110|239147|239602|239612|251009|254552|254557|272974|272975|281253|281254|330796|386482|386484|386485|466197|466198|485281|485290|503309|504327|504847|588579|602332|647626|720532|720533|745243|745246|745248|745252|745253|745254|745255|745256|1124602|1124605|1133747|1133749|1169021|1169024|1238148|1277888|1277889|1289934|1289936|1289954|1336308|1342825|1342826|1346340|1346588|1346995|1568171|1568172|1634585|1634586|1634587|1634588|1634589|1634590|1634591|1634592|1754203|1754204|1754205|1796599
20050601
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|AKos Consulting & Solutions|Alfa Chemistry|Amadis Chemical|Ambinter|ApexBio Technology|AstaTech, Inc.|Aurora Fine Chemicals LLC|BenchChem|BePharm Ltd.|BIND|BindingDB|BioCyc|BOC Sciences|CCSbase|Center for Chemical Genomics, University of Michigan|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemMol|ChemShuttle|ChemSpider|ChemTik|Collaborative Drug Discovery, Inc.|Comparative Toxicogenomics Database (CTD)|CreativePeptides|CymitQuimica|DC Chemicals|DrugBank|DrugCentral|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|Enamine|eNovation Chemicals|EPA DSSTox|EvitaChem|Google Patents|Hello Bio|Human Metabolome Database (HMDB)|Isca Biochemicals|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|KEGG|Key Organics/BIONET|LabNetwork, a WuXi AppTec Company|labseeker|MassBank Europe|MassBank of North America (MoNA)|Matrix Scientific|Mcule|MedChemexpress MCE|Metabolomics Workbench|Molecule Market|MolPort|MuseChem|National Center for Advancing Translational Sciences (NCATS)|NCBI Structure|NextBio|NextMove Biologics|NextMove Software|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|NovoSeek|OXCHEM CORPORATION|PATENTSCOPE (WIPO)|Pi Chemicals|Probes & Drugs portal|PubChem Reference Collection|RR Scientific|Santa Cruz Biotechnology, Inc.|SB-PEPTIDE|Selleck Chemicals|Shanghai Hanhong Scientific|Sigma-Aldrich|Smolecule|Springer Nature|Starshine Chemical|SureChEMBL|Syntree|TargetMol|THE BioTek|Therapeutic Target Database (TTD)|Thomson Pharma|Tocris Bioscience|ToxPlanet|Wikidata|WikiPathways|Wiley|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|ZeroPM - Zero Pollution of Persistent, Mobile Substances|ZINC
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
C307 - Biological Agent|D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones|C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides|D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from WikiPathways, clinicaltrial, clinicaltrials, clinical trial, clinical trials
135444742
Tetrahydrofolic acid
tetrahydrofolic acid|tetrahydrofolate|135-16-0|5,6,7,8-tetrahydrofolic acid|Tetrahydropteroylglutamic acid|(2S)-2-(4-(((2-Amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzamido)pentanedioic acid|5,6,7,8-tetrahydrofolate|(6S)-tetrahydrofolate|CHEBI:20506|43ZWB253H4|th-folate|folate-H4|(6S)-Tetrahydrofolic acid|Glutamic acid, N-(p-(((2-amino-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-, L-|tetrahydrofolyl-(L-Glu)n|(2S)-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid|TETRAHYDROFOLICACID|C19H23N7O6|EINECS 205-181-1|UNII-43ZWB253H4|L-GLUTAMIC ACID, N-(4-(((2-AMINO-1,4,5,6,7,8-HEXAHYDRO-4-OXO-6-PTERIDINYL)METHYL)AMINO)BENZOYL)-|L-glutamic acid, N-[4-[[(2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-|5,6,7,8-Tetrahydropteroyl-L-glutamic acid|L-Tetrahydrofolic Acid (>70% when packaged)|SCHEMBL82453|N-(4-(((2-Amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid|CHEMBL91866|GTPL4675|CHEMBL2021342|CHEBI:68512|DTXSID70897520|TETRAHYDROFOLIC ACID [DSC]|BDBM50022833|MFCD00135583|AKOS022174895|AKOS040744825|(2S)-5,6,7,8-tetrahydrofolic acid|DB00116|DS-7498|AC-31120|HY-14520|N-[4-{[(2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}benzoyl]-L-glutamic acid|CS-0003422|(-)-L-5,6,7,8-TETRAHYDROFOLIC ACID|5,6,7,8-Tetrahydropteroyl-L-glutamic acid, THF|A910085|J-006656|Q53668656|Tetrahydrofolic acid, >=65% (when packaged), powder|(2S)-2-(4-((2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methylamino)benzamido)pentanedioic acid|(2S)-2-[(4-{[(2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid|(S)-2-{4-[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid|2-{4-[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid|L-Glutamic acid, N-(4-(((2-amino-1,4,5,6,7,8-hexahydro-4-oxopteridinyl)methyl)amino)benzoyl)-|L-Glutamic acid, N-[4-[[(2-amino-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-
445.400
C19H23N7O6
207.000
834.000
-0.600
32
8
10
9
InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11?,12-/m0/s1
C1C(NC2=C(N1)N=C(NC2=O)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
C1C(NC2=C(N1)N=C(NC2=O)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
MSTNYGQPCMXVAQ-KIYNQFGBSA-N
(2S)-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
445.171
445.171
0
1
0
2
1
1
0
0
0
1440
13921
4365
2D+3D
null
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
16
57085|57086|57087|57088|57251|57256|57262|57427|57428|57429|57430|57431|57432|57433|57434|71200|71203|71205|71218|71229|71382|230430|1409598|1640020|1645758|1671498
20190115
001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|AbaChemScene|ABI Chem|Achemtek|Activate Scientific|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alsachim|Amadis Chemical|Ambeed|Ambinter|AstaTech, Inc.|Aurora Fine Chemicals LLC|BenchChem|BePharm Ltd.|BIND|BindingDB|Biosynth|BLD Pharm|BOC Sciences|Broad Institute|CCSbase|ChEBI|Chem-Space.com Database|Chembase.cn|ChEMBL|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|Cheminformatics Friedrich-Schiller-University Jena|ChemSpider|Combi-Blocks|Comparative Toxicogenomics Database (CTD)|CymitQuimica|DiscoveryGate|DrugBank|ECI Group, LCSB, University of Luxembourg|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|eNovation Chemicals|EPA DSSTox|FDA Global Substance Registration System (GSRS)|Glentham Life Sciences Ltd.|Google Patents|Hangzhou APIChem Technology|Human Metabolome Database (HMDB)|IBM|iChemical Technology USA Inc|IUPHAR/BPS Guide to PHARMACOLOGY|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|Key Organics/BIONET|King Scientific|LabNetwork, a WuXi AppTec Company|LeadScope|LGC Standards|Mcule|MedChemexpress MCE|Molecule Market|MolPort|MuseChem|Nature Chemical Biology|NextBio|NextMove Software|NIST Mass Spectrometry Data Center|NORMAN Suspect List Exchange|NovoSeek|OXCHEM CORPORATION|PATENTSCOPE (WIPO)|Probes & Drugs portal|RR Scientific|Santa Cruz Biotechnology, Inc.|SCRIPDB|Sigma-Aldrich|Smolecule|Springer Nature|Starshine Chemical|SureChEMBL|Therapeutic Target Database (TTD)|Thieme Chemistry|Thomson Pharma|Thoreauchem|ToxPlanet|Wikidata|WikiPathways|Wiley|Win-Win Chemical|ZeroPM - Zero Pollution of Persistent, Mobile Substances
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services
COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map
24424
Zinc Sulfate
Zinc sulfate|7733-02-0|Zinc sulphate|Zinc sulfate anhydrous|Zincate|White vitriol|zinc(II) sulfate|Zincomed|Optraex|Zinc vitriol|OP-Thal-zin|Zinc sulfate (1:1)|Bufopto zinc sulfate|ZnSO4|Sulfuric acid, zinc salt (1:1)|Zinc sulphate anhydrous|Sulfate de zinc|Zinc sulfate, anhydrous|Zinc sulphate, anhydrous|Zinc sulfate (anhydrous)|Zincfrin|Zinc (as sulfate)|zinc(2+) sulfate|Zinc (as sulphate)|0J6Z13X3WO|Zinc sulphate hydrate|CHEBI:35176|NSC-32677|NSC-135806|DTXSID2040315|Zinc sulfate, unspecified hydrate|Medizinc|Optised|Orazinc|Solvezinc|Zinklet|Neozin|Visine-ac|Zinci Sulfas|Prefrin-Z|Zincum Sulfuricum|Zink-Gro|Zinc vitriol (VAN)|Caswell No. 927|White vitriol (VAN)|Zincsulphate|Salvazinc|zinc;sulfate|NU-Z|Sulfuric acid, zinc salt|Zinc-200|Sulfate de zinc [French]|Sulfate, Zinc|CCRIS 3664|Sulfuric acid zinc salt (VAN)|HSDB 1063|EINECS 231-793-3|NSC 32677|EPA Pesticide Chemical Code 089001|NSC 135806|UNII-0J6Z13X3WO|AI3-03967|Sulfato de cinc|zinc(II)sulfate|Sulfato de zinco|Solfato di Zinco|Caswell No 927|O4SZn|HONNY FRESH 10P|ZINC SULFATE (II)|ZINC SULFATE [MI]|EC 231-793-3|ZINC SULFATE [HSDB]|ZINC SULFATE (MART.)|ZINC SULFATE (USP-RS)|89DS0H96TB|CHEMBL1200929|DTXCID0020315|Zinc Sulfate (Solution in Water)|ZINC SULFATE (USP IMPURITY)|EPA Pesticide Chemical Code 08901|AKOS025295737|DB09322|NS00076230|Q204954|J-010404
161.400
O4SZn
88.600
62.200
null
6
0
4
0
InChI=1S/H2O4S.Zn/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2
[O-]S(=O)(=O)[O-].[Zn+2]
[O-]S(=O)(=O)[O-].[Zn+2]
NWONKYPBYAMBJT-UHFFFAOYSA-L
zinc;sulfate
159.881
159.881
0
2
0
0
0
0
0
0
0
19064
29969
21273
2D
Zinc Sulfate
Agrochemical Information|Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information
16
678861|679852|680843|1259407|1259408
20040916
3B Scientific (Wuhan) Corp|3WAY PHARM INC|ABI Chem|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alichem|Ambinter|Aromalake Chemical|Aurora Fine Chemicals LLC|BenchChem|BioCyc|Biosynth|BLD Pharm|BOC Sciences|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chembase.cn|ChEMBL|Chemical Carcinogenesis Research Information System (CCRIS)|ChemIDplus|ChemMol|ChemSpider|ChemTik|Clearsynth|Collaborative Drug Discovery, Inc.|Comparative Toxicogenomics Database (CTD)|Cooke Chemical Co., Ltd|CymitQuimica|DiscoveryGate|DrugBank|Egon Willighagen, Department of Bioinformatics - BiGCaT, Maastricht University|eMolecules|EPA DSSTox|EPA Substance Registry Services|FDA Global Substance Registration System (GSRS)|Genetic Toxicology Data Bank (GENE-TOX)|Google Patents|Hairui Chemical|iChemical Technology USA Inc|J&H Chemical Co.,ltd|Japan Chemical Substance Dictionary (Nikkaji)|labseeker|LeadScope|LEAPCHEM|LGC Standards|Macsen Labs|Mcule|Molecule Market|MuseChem|NextBio|NextMove Software|NIAID ChemDB|NORMAN Suspect List Exchange|NovoSeek|Parchem|PATENTSCOPE (WIPO)|Probes & Drugs portal|PubChem Reference Collection|Santa Cruz Biotechnology, Inc.|Springer Nature|Starshine Chemical|Therapeutic Target Database (TTD)|Thomson Pharma|Thoreauchem|ToxPlanet|Tractus|VladaChem|VWR, Part of Avantor|Wikidata|Wiley|Wubei-Biochem|Wutech|Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.|ZeroPM - Zero Pollution of Persistent, Mobile Substances
Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|Research and Development|Subscription Services
B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05X - I.v. solution additives > B05XA - Electrolyte solutions|A - Alimentary tract and metabolism > A12 - Mineral supplements > A12C - Other mineral supplements > A12CB - Zinc|D003879 - Dermatologic Agents > D001252 - Astringents|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
5479530
Ceftriaxone
ceftriaxone|Biotrakson|Rocephin|Ceftriaxon|73384-59-5|Ceftriaxona|Ceftriaxonum|Ceftriazone|Rocefin|Ceftriaxonum [INN-Latin]|Ceftriaxona [INN-Spanish]|Rocephine|CEFTRIAXONE SODIUM|DRG-0071|CHEBI:29007|EINECS 277-405-6|Rocephalin|Ceftriaxone (INN)|UNII-75J73V1629|CHEMBL161|CTRX|(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|75J73V1629|Ceftriaxone sodium hydrate|(E)-Ceftriaxone|5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-3-(((1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio)methyl)-, (6R-(6alpha,7beta(Z)))-|CEFTRIAXONE [INN]|Ceftriaxonum (INN-Latin)|Ceftriaxona (INN-Spanish)|74578-69-1|Ro 139904|Rophex|Ceftriaxone (TN)|(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-3-(((1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio)methyl)-, (6R,7R)-|7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid|DTXSID0022773|Ceftriaxone [USAN:INN:JAN]|(6R,7R)-7-(((2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl)amino)-3-(((2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid|7beta-(((2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl)amino)-3-(((2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl)methyl)-3,4-didehydrocepham-4-carboxylic acid|ceftriaxonum natricum|CEFTRIAXONE [MI]|CEFTRIAXONE [VANDF]|SCHEMBL23354|CEFTRIAXONE [WHO-DD]|DTXCID902773|J01DA13|HY-B0712|BDBM50049707|BDBM50103601|AKOS015960618|AC-1592|DB01212|(6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(methyloxy)imino]acetyl}amino)-3-{[(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)thio]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|AS-56320|C06683|D07659|A899928|EN300-23582312|Cefatriaxone, Antibiotic for Culture Media Use Only|W-104454|(6R,7R)-7-[[(2Z)-2-(2-Amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-8-oxo-3-[[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-7-[2-(2-Amino-4-thiazolyl)glyoxylamido]-8-oxo-3-[[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-as-triazin-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7^2-(Z)-(O-|(6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-3-(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-[1,2,4]triazin-3-ylsulfanylmethyl)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-3-(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-[1,2,4]triazin-3-ylsulfanylmethyl)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R,)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-((2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-ylthio)methyl)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R,Z)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-((2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-ylthio)methyl)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R,Z)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-((6-hydroxy-2-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-ylthio)methyl)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid|5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2-AMINO-4-THIAZOLYL)(METHOXYIMINO)ACETYL)AMINO)-8-OXO-3-(((1,2,5,6-TETRAHYDRO-2-METHYL-5,6-DIOXO-1,2,4-TRIAZIN-3-YL)THIO)METHYL)-, (6R-(6.ALPHA.,7.BETA.(Z)))-|5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-8-oxo-3-[[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio]methyl]-, (6R,7R)-|7-[2-(2-Amino-thiazol-4-yl)-2-methoxyimino-acetylamino]-3-(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-[1,2,4]triazin-3-ylsulfanylmethyl)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid (Ceftriaxone)|7-[2-(2-Amino-thiazol-4-yl)-2-methoxyimino-acetylamino]-3-(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-[1,2,4]triazin-3-ylsulfanylmethyl)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid(Ceftriaxone)
554.600
C18H18N8O7S3
288.000
1110.000
-1.300
36
4
13
8
InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O
VAAUVRVFOQPIGI-SPQHTLEESA-N
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
554.046
554.046
0
1
0
2
2
0
1
1
0
7072
23854
6869
2D+3D
Ceftriaxone
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test Results: Micromolar
16
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20050801
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J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DD - Third-generation cephalosporins|D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams|D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins|D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams|C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials
27503
Cromolyn Sodium
CROMOLYN SODIUM|15826-37-6|Sodium cromoglycate|Disodium cromoglycate|sodium cromoglicate|Sodium cromolyn|Gastrocrom|Cromolyn disodium salt|Cromolyn sodium salt|Cromoptic|Nasalcrom|Opticrom|Crolom|Cromoglycate disodium|Intal|Natrii cromoglicas|Natrium cromoglicat|Gastrofrenal|Lomuda|Intal nebulizer|Chromolyn sodium|Cromoglicate Sodium|Lomudal|Lomusol|Nalcrom|Nebulasma|Aarane|Astilyn|Disodium cromolyn|Cromo asma aerosol|Cromolyn (sodium)|Inostral (Anti-asthmatic)|Aararre|FPL-670|Frenasma|Lomudas|Rynacrom|Nasmil|Dinatrium cromoglicicum|DSCG|CCRIS 3194|FPL.670|CHEBI:128458|FPL 670|UNII-Q2WXR1I0PK|Q2WXR1I0PK|EINECS 239-926-7|NSC 109500|Cromoglicinsaeure, dinatriumsalz|DTXSID7044554|Cromoglicic acid;Duracroman|NSC-109500|Dinatrium salz von 1,3-bis-(2-carboxychromon-5-yloxy)-2-hydroxypropan|Cromolyn sodium [USAN:USP]|Disodium 5,5'-((2-hydroxytrimethylene)dioxy)bis(4-oxo-4H-1-benzopyran-2-carboxylate)|4H-1-Benzopyran-2-carboxylic acid, 5,5'-((2-hydroxy-1,3-propanediyl)bis(oxy))bis(4-oxo-, disodium salt)|Disodium Cromoglycate;FPL-670|DTXCID5024554|MFCD00057744|Disodium 5,5'-((2-hydroxytrimethylene)bis(oxy))bis(4-oxo-4H-1-benzopyran-2-carboxylate)|4H-1-Benzopyran-2-carboxylicacid, 5,5'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-, sodium salt (1:2)|CAS-15826-37-6|4H-1-Benzopyran-2-carboxylic acid, 5,5'-((2-hydroxytrimethylene)dioxy)bis(4-oxo-, disodium salt|Cromolyn sodium (USAN:USP)|CROMOLYN SODIUM (USP-RS)|CROMOLYN SODIUM [USP-RS]|SODIUM CROMOGLICATE (MART.)|SODIUM CROMOGLICATE [MART.]|Cromolyn sodium [USAN]|cromolyn disodium|Cromolyn disodium salt hydrate|CROMOLYN SODIUM (USP MONOGRAPH)|CROMOLYN SODIUM [USP MONOGRAPH]|sodium 5,5'-((2-hydroxypropane-1,3-diyl)bis(oxy))bis(4-oxo-4H-chromene-2-carboxylate)|sodium 5,5'-(2-hydroxypropane-1,3-diyl)bis(oxy)bis(4-oxo-4H-chromene-2-carboxylate)|Natrium cromoglicat [German]|4H-1-Benzopyran-2-carboxylic acid, 5,5'-((2-hydroxy-1,3-propanediyl)bis(oxy))bis(4-oxo-, disodium salt|SODIUM CROMOGLICATE (EP MONOGRAPH)|SODIUM CROMOGLICATE [EP MONOGRAPH]|Cromoglycate, Sodium|NSC109500|Cromoglycate, Disodium|NCGC00021142-02|Sodium cromoglicate [JAN]|Cromlyn Sodio|FPL670|Cromolina Sodica|Cromolyn Na|Cromolyne sodique|Methyl3-butynoate|disodium 5,5'-((2-hydroxypropane-1,3-diyl)bis(oxy))bis(4-oxo-4H-chromene-2-carboxylate)|disodium 5,5'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(4-oxo-4H-chromene-2-carboxylate)|Disodium 5,5'-[(2-hydroxytrimethylene)dioxy]bis[4-oxo-4H-1-benzopyran-2-carboxylate]|Gastrocrom (TN)|disodium 5-(3-((2-carboxylato-4-oxo-4H-chromen-5-yl)oxy)-2-hydroxypropoxy)-4-oxo-4H-chromene-2-carboxylate|disodium 5-(3-(2-carboxylato-4-oxo-4H-5-chromenyloxy)-2-hydroxypropoxy)-4-oxo-4H-2-chromenecarboxylate|disodium 5-[3-(2-carboxylato-4-oxo-4H-5-chromenyloxy)-2-hydroxypropoxy]-4-oxo-4H-2-chromenecarboxylate|disodium 5-{3-[(2-carboxylato-4-oxo-4H-chromen-5-yl)oxy]-2-hydroxypropoxy}-4-oxo-4H-chromene-2-carboxylate|Prestwick_996|cromoglicato de sodio|Intal (TN)|5,5'-(2-Hydroxytrimethylenedioxy)bis(4-oxochromene-2-carboxylic acid)|Cromolyn sodium (USP)|CHEMBL74|Cromolyn Sodium Inhalation|Epitope ID:122681|Dinatrium salz von 1,3-bis-(2-carboxychromon-5-yloxy)-2-hydroxypropan [German]|SCHEMBL7500|5,5'-((2-Hydroxytrimethylene)dioxy)bis(4-oxo-4H-1-benzopyran-2-carboxylic acid) disodium salt|Cromoglycate,Cromoglycic acid|Sodium cromoglicate (JP17)|SPECTRUM1500210|CROMOLYN SODIUM [VANDF]|DISODIUM CROMOLYN [INCI]|HMS502K19|VLARUOGDXDTHEH-UHFFFAOYSA-L|HMS1570D05|HMS1920A18|HMS2089N09|HMS2091I06|HMS2097D05|HMS3714D05|Cromolyn Sodium Inhalation Solution|BCP12933|CROMOLYN DISODIUM SALT [MI]|Tox21_110863|Tox21_302003|CCG-40261|CROMOGLICATE SODIUM [WHO-DD]|s1911|SODIUM CROMOGLICATE [WHO-IP]|CROMOLYN SODIUM [ORANGE BOOK]|AKOS015895760|AKOS015913923|AKOS016339565|Tox21_110863_1|KS-5299|NCGC00017083-01|NCGC00017083-02|NCGC00017083-03|NCGC00022858-08|NCGC00094633-01|NCGC00094633-02|NCGC00255950-01|AC-18734|disodium;5-[3-(2-carboxylato-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate|NATRII CROMOGLICAS [WHO-IP LATIN]|Cromolyn Sodium Oral Solution (Concentrate)|C2521|NS00078183|D00526|A809913|J-009487|Q10261779|5,5'-((2-Hydroxy-1,3-propanediyl)bis(oxy))bis(4-oxo-4H-1-benzopyran-2-carboxylic Acid), Disodium Salt|5,5'-[(2-Hydroxy-1,3-propanediyl)bis(oxy)]bis(4-oxo-4H-1-benzopyran-2-carboxylic Acid) Disodium Salt|sodium 5-[3-(2-carboxy-4-oxo-chromen-5-yl)oxy-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylic acid;Sodium cromoylycate|Sodium salt of 5-[3-(2-carboxy-4-oxo-4H-5-chromenyloxy)-2-hydroxypropoxy]-4-oxo-4H-2-chromenecarboxylic acid
512.299
C23H14Na2O11
172.000
824.000
null
36
1
11
6
InChI=1S/C23H16O11.2Na/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30;;/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30);;/q;2*+1/p-2
C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)[O-])O)C(=O)C=C(O2)C(=O)[O-].[Na+].[Na+]
C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)[O-])O)C(=O)C=C(O2)C(=O)[O-].[Na+].[Na+]
VLARUOGDXDTHEH-UHFFFAOYSA-L
disodium;5-[3-(2-carboxylato-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate
512.033
512.033
0
3
0
0
0
0
0
0
0
7351
42639
9830
2D
Cromolyn Sodium
Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biological Test Results: Micromolar|Biological Test Results: Nanomolar
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