WHC is still in active development. Read this to understand our approach.
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Ondansetron

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Ondansetron

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Ondansetron

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Ondansetron

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Data

InChI: InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3

Synonyms: NCI60_022780,1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazole-1 -yl)methyl]-4H-carbazol-4-one,SCHEMBL4542,ONDANSETRON [WHO-DD],DSSTox_CID_3393,SR-01000763250, 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one,Tox21_113048_1,NSC 757870,Zofran, AC1LDIAR,AKOS016340526,9-methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)-1,2,3,9-tetrahydro-4H-carbazol-4-one,ONDANSETRON [ORANGE BOOK],Zudan,EUR-1025, 8KTH918W9P,Ondansetron (JAN/USP/INN),BPBio1_001118,9-Methyl-3- (2-methyl-imidazol-1ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one,CHEMBL46, Zofran ODT,MLS006011928,Q410011,GR 38032,GR38032,BCP28911,9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-4-one,DSSTox_GSID_23393,Ondansetron, (3R)-, Ondansetron [USAN:INN:BAN], 4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)-, (3R)-, DTXSID20244166,GR 38032X,SR-01000763250-4,NSC_68647,ONDANSETRON [JAN],CAS-99614-02-5,NSC791005,AB00373674-17, GR38032F, GR 38032,ONDANSETRON [USP MONOGRAPH],DESMETHYLONDANSETRON,BDBM85330, CHEMBL428411, SN-307,Zofran ODT,L000456,Ondansetron (Hydrochloride),Ondansetron Injection, PHL-ondansetron,ACT02589,GR 38032F;GR-C507/75,39O049,4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)-,SPBio_002938,Z1501485364,ondansetron (Zofran), (RS)-1,2,3,9-Tetrahydro-9-methyl-3-(2-methylimidazol-1-ylmethyl)carbazol-4-one,Zuplenz, Apo-ondansetron,CBDivE_008994, PDSP1_000036,NCGC00179341-07,ONDANSETRON [MART.],UNII-4AF302ESOS, UNII-8KTH918W9P, Zophren,116002-70-1,4H-Carbazol-4-one,?1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-, 9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,3,9-tetrahydro-4H-carbazol-4-one,9-Methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)-1,2,3,9-tetrahydro-4H-carbazol-4-one hydrochloride dihydrate,Ondansetron [USP:INN:BAN],BRD-A19736161-003-03-0,Prestwick2_001058,4AF302ESOS,GR 38032 (hydrochloride);SN 307 (hydrochloride),AB00373674_18,D00456,BRD-A19736161-001-01-8,GR-38032F/GR-38032,ONDANSETRON [MI],Oprea1_852372,AKOS000599484,Prestwick1_001058, SCHEMBL848379,s1996,ONDANSETRON [INN],KS-5227,1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-4H- carbazol-4-one,C07325, Sandoz ondansetron, GR 38032X,9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1~{H}-carbazol-4-one, 3R-Ondansetron [MI],BCP9001025, Zofran,99614-01-4, 4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)-, (R)-, GR-38032F,SMR001307702,TimTec1_001750,Oprea1_435466,Ondansetron (base and/or unspecified salts),BRN 3622981,1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-carbazol-4-one,NSC-791005,99614-02-5,STK370548,9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one,9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,3,9-tetrahydro-4H-carbazol-4-one,NCGC00179341-12, Zofran (TN), UNII-4AF302ESOS component FELGMEQIXOGIFQ-CYBMUJFWSA-N, 1,2,3,9-Tetrahydro-9-methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)-4H-carbazol-4-one, ZINC4448,(3S)-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one,NCGC00179341-04,MFCD00833882,ONDANSETRON [VANDF],Prestwick3_001058,DB00904, Ondansetron (Zofran),NC00706,Zofran ODT (TN),HMS3259H08, Ondansetron, (+,-)-Isomer,HMS3371E18, 9-Methyl-3-(2-methyl-imidazol-1-ylmethyl)-1,2,3,9-tetrahydro-carbazol-4-one, PDSP2_000036, Ondansetron (JAN/USP/INN),(R)-ONDANSETRON,Prestwick0_001058,AB00373674_19,1,2,3,9,-Tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-carbazol-4-one,Ondansetron,HY-B0002B,1,2,3,9-Tetrahydro-9-methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)-4H-carbazol-4-one,GTPL2290,(+/-)-2,3-DIHYDRO-9-METHYL-3-((2-METHYLIMIDAZOL-1-YL)METHYL)CARBAZOL-4(1H)-ONE,HMS2090H16,AC-28927,1,2,3,4-Tetrahydro-9-methyl-3-(2-methyl-1H-imidazol-1-ylmethyl)carbazol-4-one,Ondansetron(base and/or unspecified salts), Ondansetron (base and/or unspecified salts),1,2,3,9-Tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1yl)methyl]-4H-carbazol-4-one,GR-38032,CAS_68647,ondansetron,Tox21_113048, BDBM50241365, Zofran ODT (TN),GR-C507/75, Ratio-ondansetron, ZOFRAN IN PLASTIC CONTAINER,DSSTox_RID_77011,A04AA01,(RS)-1,2,3,9-Tetrahydro-9-methyl-3-(2-methylimidazol-1-ylmethyl)carbazol-4-one,FT-0631004, PMS-ondansetron,ONDANSETRON [USP-RS],HSDB 8304, Zudan,CHEBI:7773,NCGC00179341-02,9-Methyl-3-[(2-methyl-1H-imidazolyl)methyl]-1,2,3,9-tetrahydro-4H-carbazole-4-one,AB00373674-15,1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazole-1-yl)methyl]-4H-carbazol-4-one,Odansetron [common misspelling of ondansetron],NSC-757870,DTXSID8023393,9-Methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)-2,3-dihydro-1H-carbazol-4(9H)-one,AB00373674,BSPBio_001016, 99614-60-5,EN300-117273, Novo-ondansetron,4H-CARBAZOL-4-ONE, 1,2,3,9-TETRAHYDRO-9-METHYL-3-((2-METHYL-1H-IMIDAZOL-1-YL)METHYL)- (+/-)-

Estimated data

Solubility: -3.64 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: No (prediction using frontiersin.org)

Addictivity Prediction: 25.9% (prediction based on www.mdpi.com)

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.