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Drug Metabolite

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  1. Adipic acid
      Grade & Purity: 
    • AR
    • ≥99%(HPLC)
    Cas Number: 124-04-9        EC Number: 204-673-3
    Formula:  C6H10O4        Molecular Weight: 146.14
    IUPAC Name:  hexanedioic acid
    SMILES:  C(CCC(=O)O)CC(=O)O
    InChIKey: WNLRTRBMVRJNCN-UHFFFAOYSA-N
    InChI:  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...
  2. D-Penicillamine
    Cas Number: 52-67-5        EC Number: 200-148-8
    Formula:  C5H11NO2S        Molecular Weight: 149.21
    IUPAC Name:  (2S)-2-amino-3-methyl-3-sulfanylbutanoic acid
    SMILES:  CC(C)(C(C(=O)O)N)S
    InChIKey: VVNCNSJFMMFHPL-VKHMYHEASA-N
    InChI:  InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1
    Synonyms: Cuprimine (TN) | Penicillaminum (INN-Latin) | D-Valine, 3-mercapto- | KBioSS_000763 | PENICILLAMINE [INN] | Spectrum2...
  3. D-glucosyl-ß1-1'-D-erythro-sphingosine
      Grade & Purity: 
    • ≥95%
    Cas Number: 52050-17-6
    Formula:  C24H47NO7        Molecular Weight: 461.632
    IUPAC Name:  (2R,3R,4S,5S,6R)-2-[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    SMILES:  CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)N)O
    InChIKey: HHJTWTPUPVQKNA-JIAPQYILSA-N
    InChI:  InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/show more
    Synonyms: 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...
  4. 5-Phenylhydantoin
      Grade & Purity: 
    • ≥99%(HPLC)(T)
    Cas Number: 89-24-7        Compound CID:  1002
    Formula:  C9H8N2O2        Molecular Weight: 176.18
    IUPAC Name:  5-phenylimidazolidine-2,4-dione
    SMILES:  C1=CC=C(C=C1)C2C(=O)NC(=O)N2
    InChIKey: NXQJDVBMMRCKQG-UHFFFAOYSA-N
    InChI:  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...
  5. Desloratadine, Histamine H1 receptor antagonist
    Cas Number: 100643-71-8
    Formula:  C19H19ClN2        Molecular Weight: 310.83
    IUPAC Name:  13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
    SMILES:  C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4
    InChIKey: JAUOIFJMECXRGI-UHFFFAOYSA-N
    InChI:  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,3-4,7-8,10-11H2
    Synonyms: DESLORATADINE [USP MONOGRAPH] | LORATADINE IMPURITY D (EP IMPURITY) | Pharmakon1600-01505393 | Aerius | LORATADINE IM...
  6. MTIC
      Grade & Purity: 
    • ≥95%
    Cas Number: 3413-72-7
    Formula:  C5H8N6O        Molecular Weight: 168.16
    IUPAC Name:  4-(2-methyliminohydrazinyl)-1H-imidazole-5-carboxamide
    SMILES:  CN=NNC1=C(NC=N1)C(=O)N
    InChIKey: MVBPAIHFZZKRGD-UHFFFAOYSA-N
    InChI:  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
  7. 5-Fluorouridine
    Cas Number: 316-46-1
    Formula:  C9H11FN2O6        Molecular Weight: 262.19
    IUPAC Name:  1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
    SMILES:  C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)F
    InChIKey: FHIDNBAQOFJWCA-UAKXSSHOSA-N
    InChI:  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/s1
    Synonyms: 1-.beta.-D-Arabinofuranosyl-5-fluoro-(1H,3H)-pyrimidine-2,4-dione | 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)t...
  8. AOZ
      Grade & Purity: 
    • ≥97%
    Cas Number: 80-65-9        EC Number: 201-299-2
    Formula:  C3H6N2O2        Molecular Weight: 102.09
    IUPAC Name:  3-amino-1,3-oxazolidin-2-one
    SMILES:  C1COC(=O)N1N
    InChIKey: KYCJNIUHWNJNCT-UHFFFAOYSA-N
    InChI:  InChI=1S/C3H6N2O2/c4-5-1-2-7-3(5)6/h1-2,4H2
    Synonyms: NSC 111187 | 3-aminooxazolidin-2-id-4-one | 3-amino oxazolidinone | BCP32566 | NSC196570 | 3-Amino-2-oxazolidinone | ...
  9. D-(+)-cellotetraose
      Grade & Purity: 
    • ≥95%
    Cas Number: 38819-01-1
    Formula:  C24H42O21        Molecular Weight: 666.58
    IUPAC Name:  (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]show more
    SMILES:  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)O
    InChIKey: LUEWUZLMQUOBSB-YQGOCCRESA-N
    InChI:  InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11show more
    Synonyms: Glcβ(1-4)Glcβ(1-4)Glcβ(1-4)Glc
  10. Methyl cholate
      Grade & Purity: 
    • ≥97%
    Cas Number: 1448-36-8
    Formula:  C25H42O5        Molecular Weight: 422.61
    IUPAC Name:  methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]show more
    SMILES:  CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
    InChIKey: DLYVTEULDNMQAR-SRNOMOOLSA-N
    InChI:  InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+show more
    Synonyms: CHEBI:177012 | EINECS 215-903-7 | Cholan-24-oic acid, 3,7,12-trihydroxy-, methyl ester, (3alpha,5beta,7alpha,12alpha)...
  11. Dasatinib Carboxylic Acid
    Cas Number: 910297-53-9
    Formula:  C22H24ClN7O3S        Molecular Weight: 501.99
    IUPAC Name:  2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]acetic acid
    SMILES:  CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CC(=O)O
    InChIKey: VMCDXJFWSYUNPO-UHFFFAOYSA-N
    InChI:  InChI=1S/C22H24ClN7O3S/c1-13-4-3-5-15(23)20(13)28-21(33)16-11-24-22(34-16)27-17-10-18(26-14(2)25-17)30-8-6-29(7-9-30)12-19(31)32/h3-5,10-11H,6-9,12H2,show more
    Synonyms: Dasatinib Carboxylic Acid | 4-[6-[[5-[[(2-Chloro-6-methylphenyl)amino]carbonyl]-2-thiazolyl]amino]-2-methyl-4-pyrimid...
  12. 9-Hydroxyfluorene
      Grade & Purity: 
    • ≥97%
    Cas Number: 1689-64-1        EC Number: 216-879-0
    Formula:  C13H10O        Molecular Weight: 182.22
    IUPAC Name:  9H-fluoren-9-ol
    SMILES:  C1=CC=C2C(=C1)C(C3=CC=CC=C32)O
    InChIKey: AFMVESZOYKHDBJ-UHFFFAOYSA-N
    InChI:  InChI=1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H
    Synonyms: 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...
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