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Drug Metabolite
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Adipic acidCas Number: 124-04-9 EC Number: 204-673-3Formula: C6H10O4 Molecular Weight: 146.14IUPAC Name: hexanedioic acidSMILES: C(CCC(=O)O)CC(=O)OInChIKey: WNLRTRBMVRJNCN-UHFFFAOYSA-NInChI: InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)Synonyms: Adi-pure | EINECS 204-673-3 | HOOC-(CH2)4-COOH | adipate | Adipic acid, Vetec(TM) reagent grade, >=99% | ADIPIC-1,6-1...
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D-PenicillamineCas Number: 52-67-5 EC Number: 200-148-8Formula: C5H11NO2S Molecular Weight: 149.21IUPAC Name: (2S)-2-amino-3-methyl-3-sulfanylbutanoic acidSMILES: CC(C)(C(C(=O)O)N)SInChIKey: VVNCNSJFMMFHPL-VKHMYHEASA-NInChI: InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1Synonyms: Cuprimine (TN) | Penicillaminum (INN-Latin) | D-Valine, 3-mercapto- | KBioSS_000763 | PENICILLAMINE [INN] | Spectrum2...
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D-glucosyl-ß1-1'-D-erythro-sphingosineCas Number: 52050-17-6Formula: C24H47NO7 Molecular Weight: 461.632IUPAC Name: (2R,3R,4S,5S,6R)-2-[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)N)OInChIKey: HHJTWTPUPVQKNA-JIAPQYILSA-NInChI: show moreSynonyms: Lyso GlcCer | (2R,3R,4S,5S,6R)-2-[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | gl...
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5-PhenylhydantoinCas Number: 89-24-7 Compound CID: 1002Formula: C9H8N2O2 Molecular Weight: 176.18IUPAC Name: 5-phenylimidazolidine-2,4-dioneSMILES: C1=CC=C(C=C1)C2C(=O)NC(=O)N2InChIKey: NXQJDVBMMRCKQG-UHFFFAOYSA-NInChI: InChI=1S/C9H8N2O2/c12-8-7(10-9(13)11-8)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12,13)Synonyms: BRD-A25516658-001-01-6 | MLS002639158 | NSC51847 | NSC-51847 | NSC 51847 | 1-Propanone, 3-(4-fluorophenyl)-1-(2-hydro...
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Desloratadine, Histamine H1 receptor antagonistCas Number: 100643-71-8Formula: C19H19ClN2 Molecular Weight: 310.83IUPAC Name: 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaeneSMILES: C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4InChIKey: JAUOIFJMECXRGI-UHFFFAOYSA-NInChI: InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2Synonyms: DESLORATADINE [USP MONOGRAPH] | LORATADINE IMPURITY D (EP IMPURITY) | Pharmakon1600-01505393 | Aerius | LORATADINE IM...
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MTICCas Number: 3413-72-7Formula: C5H8N6O Molecular Weight: 168.16IUPAC Name: 4-(2-methyliminohydrazinyl)-1H-imidazole-5-carboxamideSMILES: CN=NNC1=C(NC=N1)C(=O)NInChIKey: MVBPAIHFZZKRGD-UHFFFAOYSA-NInChI: InChI=1S/C5H8N6O/c1-7-11-10-5-3(4(6)12)8-2-9-5/h2H,1H3,(H2,6,12)(H,7,10)(H,8,9)Synonyms: 5-(3-Methyl-1-triazeno)imidazole-4-carboxamide | NSC-40734
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5-FluorouridineCas Number: 316-46-1Formula: C9H11FN2O6 Molecular Weight: 262.19IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dioneSMILES: C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)FInChIKey: FHIDNBAQOFJWCA-UAKXSSHOSA-NInChI: InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1Synonyms: 1-.beta.-D-Arabinofuranosyl-5-fluoro-(1H,3H)-pyrimidine-2,4-dione | 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)t...
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AOZCas Number: 80-65-9 EC Number: 201-299-2Formula: C3H6N2O2 Molecular Weight: 102.09IUPAC Name: 3-amino-1,3-oxazolidin-2-oneSMILES: C1COC(=O)N1NInChIKey: KYCJNIUHWNJNCT-UHFFFAOYSA-NInChI: InChI=1S/C3H6N2O2/c4-5-1-2-7-3(5)6/h1-2,4H2Synonyms: NSC 111187 | 3-aminooxazolidin-2-id-4-one | 3-amino oxazolidinone | BCP32566 | NSC196570 | 3-Amino-2-oxazolidinone | ...
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D-(+)-cellotetraoseCas Number: 38819-01-1Formula: C24H42O21 Molecular Weight: 666.58IUPAC Name: show moreSMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O)O)O)OInChIKey: LUEWUZLMQUOBSB-YQGOCCRESA-NInChI: show moreSynonyms: Glcβ(1-4)Glcβ(1-4)Glcβ(1-4)Glc
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Methyl cholateCas Number: 1448-36-8Formula: C25H42O5 Molecular Weight: 422.61IUPAC Name: show moreSMILES: CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)CInChIKey: DLYVTEULDNMQAR-SRNOMOOLSA-NInChI: show moreSynonyms: CHEBI:177012 | EINECS 215-903-7 | Cholan-24-oic acid, 3,7,12-trihydroxy-, methyl ester, (3alpha,5beta,7alpha,12alpha)...
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Dasatinib Carboxylic AcidCas Number: 910297-53-9Formula: C22H24ClN7O3S Molecular Weight: 501.99IUPAC Name: 2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]acetic acidSMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CC(=O)OInChIKey: VMCDXJFWSYUNPO-UHFFFAOYSA-NInChI: show moreSynonyms: Dasatinib Carboxylic Acid | 4-[6-[[5-[[(2-Chloro-6-methylphenyl)amino]carbonyl]-2-thiazolyl]amino]-2-methyl-4-pyrimid...
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9-HydroxyfluoreneCas Number: 1689-64-1 EC Number: 216-879-0Formula: C13H10O Molecular Weight: 182.22IUPAC Name: 9H-fluoren-9-olSMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)OInChIKey: AFMVESZOYKHDBJ-UHFFFAOYSA-NInChI: InChI=1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14HSynonyms: InChI=1/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H | NSC 5320 | 9-Hydroxy-9H-fluorene | Fluoren-9...
