Drug Metabolite

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  1. 2-Hydroxy Atorvastatin Calcium Salt
    CAS: 265989-46-6 PubChem CID: 73208804 Formula: C₆₆H₇₀F₂N₄O₁₂・Ca Molecular Weight: 1189.36
    ◐ .Made to order · 8–12 wks Item #: H339005
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    IUPAC Name
    calcium;7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
    SMILES
    CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4O.CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3show more
    InChIKey
    NOCWNJZXNVSDOU-UHFFFAOYSA-L
    InChI
    1S/2C33H35FN2O6.Ca/c2*1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41show more
    Synonyms
    (βR,δR)-2-(4-Fluorophenyl)-β,δ-dihydroxy-4-[[(2-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrole-1...
  2. 2-Hydroxy Atorvastatin Lactone
    CAS: 163217-74-1 Formula: C33H33FN2O5 Molecular Weight: 556.62
    ◐ .Made to order · 8–12 wks Item #: H339008
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    IUPAC Name
    5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N-(2-hydroxyphenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide
    SMILES
    CC(C)C1=C(C(=C(N1CCC2CC(CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5O
    InChIKey
    MNECBMZJZFGTIK-JWQCQUIFSA-N
    InChI
    1S/C33H33FN2O5/c1-20(2)31-30(33(40)35-26-10-6-7-11-27(26)38)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-25-18-24(37)19-28(39)41-25/h3-15show more
    Synonyms
    2-Hydroxy Atorvastatin Lactone | O-Hydroxy atorvastatin lactone | UNII-N8OH05250C | Ortho-Hydroxy Atorvastatin Lacton...
  3. 2-Keto-D-Glucose
    CAS: 1854-25-7 Formula: C6H10O6 Molecular Weight: 178.14
    ◐ .Made to order · 8–12 wks Item #: K353157
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    IUPAC Name
    (3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanal
    SMILES
    C(C(C(C(C(=O)C=O)O)O)O)O
    InChIKey
    DCNMIDLYWOTSGK-HSUXUTPPSA-N
    InChI
    1S/C6H10O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,4-6,8,10-12H,2H2/t4-,5-,6-/m1/s1
    Synonyms
    D-Arabino-2-hexosulose | D-Arabino-hexos-2-ulose | D-glucosone | Galactosone | PD053744 | Arabino-hexosulose | NSC 12...
  4. 24,25-Dihydroxy Vitamin D2 (mixture of diastereomers)
    CAS: 58050-55-8 PubChem CID: 66577069 Formula: C28H44O3 Molecular Weight: 428.65
    Solid ≥98%
    ◐ .Made to order · 8–12 wks Item #: D334481
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    IUPAC Name
    (E,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimetshow more
    SMILES
    CC(C=CC(C)(C(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
    InChIKey
    BPEQZNMKGFTMQE-LLWYEHBDSA-N
    InChI
    1S/C28H44O3/c1-19-9-12-23(29)18-22(19)11-10-21-8-7-16-27(5)24(13-14-25(21)27)20(2)15-17-28(6,31)26(3,4)30/h10-11,15,17,20,23-25,29-31H,1,7-9,12-14,16,show more
    Synonyms
    (E,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-h...
  5. 3,4-Dihydroxyphenylacetic acid
    CAS: 102-32-9 EC Number: 203-024-1 Formula: C8H8O4 Molecular Weight: 168.15
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D420377
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    IUPAC Name
    2-(3,4-dihydroxyphenyl)acetic acid
    SMILES
    C1=CC(=C(C=C1CC(=O)O)O)O
    InChIKey
    CFFZDZCDUFSOFZ-UHFFFAOYSA-N
    InChI
    1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
    Synonyms
    Benzeneacetic acid, 3,4-dihydroxy- | EINECS 203-024-1 | Homoprotocatechuate | NCIOpen2_000518 | Acetic acid, (3,4-dih...
  6. 3-Methoxytyramine hydrochloride(3-MT)
    CAS: 1477-68-5 EC Number: 216-035-1 Formula: CH3OC6H3-4-(OH)CH2CH2NH2·HCl Molecular Weight: 203.67
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: M419970
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    IUPAC Name
    4-(2-aminoethyl)-2-methoxyphenol;hydrochloride
    SMILES
    COC1=C(C=CC(=C1)CCN)O.Cl
    InChIKey
    AWRIOTVUTPLWLF-UHFFFAOYSA-N
    InChI
    1S/C9H13NO2.ClH/c1-12-9-6-7(4-5-10)2-3-8(9)11;/h2-3,6,11H,4-5,10H2,1H3;1H
    Synonyms
    3-MT | 3-MT | 5-(2-Aminoethyl)guaiacol HCl | MFCD00012902 | SY062385 | 13,14-dihydro Prostaglandin F2 alpha | DTXSID8...
  7. 4-Aminoantipyrine
    CAS: 83-07-8 EC Number: 201-452-3 Formula: C11H13N3O Molecular Weight: 203.24
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A426146
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    IUPAC Name
    4-amino-1,5-dimethyl-2-phenylpyrazol-3-one
    SMILES
    CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N
    InChIKey
    RLFWWDJHLFCNIJ-UHFFFAOYSA-N
    InChI
    1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3
    Synonyms
    4-AA | BSPBio_000101 | KBio2_001238 | Minoazophene | 3-Pyrazolin-5-one, 4-amino-2,3-dimethyl-1-phenyl- | 5-25-14-0009...
  8. 4-Aminoantipyrine
    CAS: 83-07-8 EC Number: 201-452-3 Formula: C11H13N3O Molecular Weight: 203.24
    ● In Stock — Germany Item #: A106066
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    IUPAC Name
    4-amino-1,5-dimethyl-2-phenylpyrazol-3-one
    SMILES
    CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N
    InChIKey
    RLFWWDJHLFCNIJ-UHFFFAOYSA-N
    InChI
    1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3
    Synonyms
    4-AA | BSPBio_000101 | KBio2_001238 | Minoazophene | 3-Pyrazolin-5-one, 4-amino-2,3-dimethyl-1-phenyl- | 5-25-14-0009...
  9. 4-Hydroxy-3-methoxyphenylacetic Acid
    CAS: 306-08-1 EC Number: 206-176-7 Formula: C9H10O4 Molecular Weight: 182.18
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: H423170
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    IUPAC Name
    2-(4-hydroxy-3-methoxyphenyl)acetic acid
    SMILES
    COC1=C(C=CC(=C1)CC(=O)O)O
    InChIKey
    QRMZSPFSDQBLIX-UHFFFAOYSA-N
    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)
    Synonyms
    HMS2233B24 | UNII-X77S6GMS36 | HMDB00118 | NCGC00093999-02 | SMR000326729 | HMS3261P06 | homovanillic-acid | MLS00105...
  10. 4-Hydroxy-alprazolam
    CAS: 30896-57-2 Formula: C17H13ClN4O Molecular Weight: 324.76
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: H275772
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    IUPAC Name
    8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-ol
    SMILES
    CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2O)C4=CC=CC=C4
    InChIKey
    CEYGCFLPQFNPST-UHFFFAOYSA-N
    InChI
    1S/C17H13ClN4O/c1-10-20-21-16-17(23)19-15(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)22(10)16/h2-9,17,23H,1H3
    Synonyms
    UNII-U0COM4319X | RS-4-Hydroxyalprazolam | 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepin-4-ol, 8-chloro-1-methyl-6-phen...
  11. 4’-Hydroxy Diclofenac-d4
    CAS: 254762-27-1 Formula: C14H7D4Cl2NO3 Molecular Weight: 316.17
    ● In Stock — US warehouse, ships to EU* Item #: H341241
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    IUPAC Name
    2-[2,3,4,5-tetradeuterio-6-(2,6-dichloro-4-hydroxyanilino)phenyl]acetic acid
    SMILES
    C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl
    InChIKey
    KGVXVPRLBMWZLG-RHQRLBAQSA-N
    InChI
    1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)/i1D,2D,3D,4D
    Synonyms
    2-[2,3,4,5-tetradeuterio-6-(2,6-dichloro-4-hydroxyanilino)phenyl]acetic acid | J-016009 | AKOS030242181 | 4'-Hydroxy ...
  12. 5-Methoxytryptamine(5-MOT), Agonist of 5-HT 1B receptor;Agonist of 5-HT 1D receptor;Agonist of 5-ht 1e receptor;Agonist of 5-HT 1F receptor;Agonist of 5-HT 2A receptor;Agonist of 5-HT 2B receptor;Agonist of 5-HT 2C receptor;Agonist of 5-HT 4 receptor;Agonist of 5-HT 6 receptor;Agoni
    CAS: 608-07-1 EC Number: 210-153-7 Formula: C11H14N2O Molecular Weight: 190.25
    Liquid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: M425036
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    IUPAC Name
    2-(5-methoxy-1H-indol-3-yl)ethanamine
    SMILES
    COC1=CC2=C(C=C1)NC=C2CCN
    InChIKey
    JTEJPPKMYBDEMY-UHFFFAOYSA-N
    InChI
    1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
    Synonyms
    5-MOT | NSC 56422 | BRD-K30197592-003-02-9 | NCGC00162256-01 | TS-02682 | GTPL107 | CAS_66-83-1 | HMS1607I12 | KBioSS...
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This listing collects compounds associated with Drug Metabolite within our Metabolic Enzyme/Protease area — inhibitors, agonists or antagonists, and reference tool compounds. Each entry links to its structure, CAS number, and reported activity so you can confirm the annotation before ordering.
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