Drug Metabolite

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  1. 11a,16b,17,21-Tetrahydroxy-pregna-1,4-diene-3,20-dione
    CAS: 13951-70-7 PubChem CID: 11047056 Formula: C21H28O6 Molecular Weight: 376.44
    ● In Stock — US warehouse, ships to EU* Item #: T302804
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    IUPAC Name
    (8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-oshow more
    SMILES
    CC12CC(C3C(C1CC(C2(C(=O)CO)O)O)CCC4=CC(=O)C=CC34C)O
    InChIKey
    SEKYBDYVXDAYPY-ILNISADRSA-N
    InChI
    1S/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,show more
    Synonyms
    11beta,16alpha,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione | Q27289433 | NCGC00183124-01 | (11?,16?)-11,16,17,21-Te...
  2. Defluoro Atorvastatin Sodium Salt
    CAS: 433289-84-0 Formula: C₃₃H₃₅N₂NaO₅ Molecular Weight: 562.63
    ◐ .Made to order · 8–12 wks Item #: D357176
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    IUPAC Name
    (3R,5R)-7-[2,3-diphenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
    SMILES
    CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
    InChIKey
    SWFBJYRYCRZMSB-KAYWLYCHSA-N
    InChI
    1S/C33H36N2O5/c1-22(2)31-30(33(40)34-25-16-10-5-11-17-25)29(23-12-6-3-7-13-23)32(24-14-8-4-9-15-24)35(31)19-18-26(36)20-27(37)21-28(38)39/h3-17,22,26-show more
    Synonyms
    831WX29C91 | HY-135373 | Q27269377 | A872716 | A899691 | Desfluoroatorvastatin | desfluoro-atorvastatin | CHEBI:19109...
  3. 3′-Hydroxy Repaglinide(Mixture of Diastereomers)
    CAS: 874908-14-2 PubChem CID: 46781896 Formula: C27H36N2O5 Molecular Weight: 468.59
    ● In Stock — US warehouse, ships to EU* Item #: H350711
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    IUPAC Name
    2-ethoxy-4-[2-[[1-[2-(3-hydroxypiperidin-1-yl)phenyl]-3-methylbutyl]amino]-2-oxoethyl]benzoic acid
    SMILES
    CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCC(C3)O)C(=O)O
    InChIKey
    OBMAZJVHPAVADF-UHFFFAOYSA-N
    InChI
    1S/C27H36N2O5/c1-4-34-25-15-19(11-12-22(25)27(32)33)16-26(31)28-23(14-18(2)3)21-9-5-6-10-24(21)29-13-7-8-20(30)17-29/h5-6,9-12,15,18,20,23,30H,4,7-8,1show more
    Synonyms
    2-Ethoxy-4-[2-({1-[2-(3-hydroxypiperidin-1-yl)phenyl]-3-methylbutyl}amino)-2-oxoethyl]benzoic acid | FT-0670089 | DTX...
  4. 3α-Hydroxy Pravastatin Sodium Salt
    CAS: 81093-43-8 PubChem CID: 45039495 Formula: C23H35NaO7 Molecular Weight: 446.51
    ◐ .Made to order · 8–12 wks Item #: H338883
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    IUPAC Name
    sodium;(3R,5R)-7-[(1S,2R,3S,8S,8aR)-3-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
    SMILES
    CCC(C)C(=O)OC1CC=CC2=CC(C(C(C12)CCC(CC(CC(=O)[O-])O)O)C)O.[Na+]
    InChIKey
    QMLCOLOJNAKCFF-JDXVWHIXSA-M
    InChI
    1S/C23H36O7.Na/c1-4-13(2)23(29)30-20-7-5-6-15-10-19(26)14(3)18(22(15)20)9-8-16(24)11-17(25)12-21(27)28;/h5-6,10,13-14,16-20,22,24-26H,4,7-9,11-12H2,1-show more
    Synonyms
    3alpha-Hydroxy pravastatin (sodium) | 3'alpha-Isopravastatin sodium | 3alpha-Isopravastatin Sodium Salt | HY-136347 |...
  5. 13-cis-Retinol
    CAS: 2052-63-3 EC Number: 633-789-0 Formula: C20H30O Molecular Weight: 286.45
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
    ● In Stock — US warehouse, ships to EU* Item #: C330958
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    IUPAC Name
    (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
    SMILES
    CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C
    InChIKey
    FPIPGXGPPPQFEQ-HWCYFHEPSA-N
    InChI
    1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13-
    Synonyms
    5DX9U76296 | C19962 | NEOVITAMIN A1 | 13-cis-Vitamin A | (2Z,4E,6E,8E)-3,7-DIMETHYL-9-(2,6,6-TRIMETHYL-1-CYCLOHEXENYL...
  6. 4,4'-Dicyanobenzhydrol
    CAS: 134521-16-7 Formula: C15H10N2O Molecular Weight: 234.25
    Solid ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: D190625
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    IUPAC Name
    4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile
    SMILES
    C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)O
    InChIKey
    JNJWXPZHWUOYRZ-UHFFFAOYSA-N
    InChI
    1S/C15H10N2O/c16-9-11-1-5-13(6-2-11)15(18)14-7-3-12(10-17)4-8-14/h1-8,15,18H
    Synonyms
    Bis(4-cyanophenyl)methanol-d4 | FT-0643222 | JNJWXPZHWUOYRZ-UHFFFAOYSA-N | Q27258134 | SCHEMBL121889 | 1361326-42-2 |...
  7. 2-Amino-5-nitro-2’-chlorobenzophenone
    CAS: 2011-66-7 EC Number: 217-929-4 Formula: C13H9ClN2O3 Molecular Weight: 276.68
    ● In Stock — US warehouse, ships to EU* Item #: A137511
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    IUPAC Name
    (2-amino-5-nitrophenyl)-(2-chlorophenyl)methanone
    SMILES
    C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)Cl
    InChIKey
    GRDGBWVSVMLKBV-UHFFFAOYSA-N
    InChI
    1S/C13H9ClN2O3/c14-11-4-2-1-3-9(11)13(17)10-7-8(16(18)19)5-6-12(10)15/h1-7H,15H2
    Synonyms
    (2-Amino-5-nitro-phenyl)-(2-chloro-phenyl)-methanone | (2-Amino-5-nitrophenyl)(2-chlorophenyl)methanone | AMY616 | RL...
  8. 13(S)-HODE-biotin
    CAS: 1217458-58-6 Formula: C28H48N4O4S Molecular Weight: 536.8
    ≥98% may contain trace amounts of free biotin,1 mg/mL in ethanol
    ◐ .Made to order · 8–12 wks Item #: H385370
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    Synonyms
    13(S)-hydroxy-N'-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl)octadeca-9Z,11E-dienehydrazide
  9. 1-oleoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine
    CAS: 89576-29-4 Formula: C23H46NO7P Molecular Weight: 479.588
    ● In Stock — US warehouse, ships to EU* Item #: O130377
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    IUPAC Name
    [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (Z)-octadec-9-enoate
    SMILES
    CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O
    InChIKey
    PYVRVRFVLRNJLY-MZMPXXGTSA-N
    InChI
    1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-show more
    Synonyms
    18:1 Lyso PE | PE(18:1(9Z)/0:0) | LysoPE(18:1omega9/0:0) | Lyso-PE(18:1omega9/0:0) | (2R)-3-(((2-Aminoethoxy)(hydroxy...
  10. 3-Morpholino Sydnonimine Hydrochloride
    CAS: 16142-27-1 EC Number: 605-254-1 PubChem CID: 9859122 Formula: C6H11ClN4O2 Molecular Weight: 206.63
    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 #: M132410
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    Synonyms
    SIN-1 hydrochloride | 5-imino-3-morpholino-5H-1,2,3-oxadiazol-3-ium-2-ide hydrochloride | Linsidomine hydrochloride |...
  11. 2-(4-Chlorophenoxy)isobutyric Acid
    CAS: 882-09-7 EC Number: 212-925-9 Formula: C10H11ClO3 Molecular Weight: 214.65
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: C129582
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    IUPAC Name
    2-(4-chlorophenoxy)-2-methylpropanoic acid
    SMILES
    CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl
    InChIKey
    TXCGAZHTZHNUAI-UHFFFAOYSA-N
    InChI
    1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
    Synonyms
    PCIB | Acidum clofibricum [INN-Latin] | NINDS_000226 | SCHEMBL102826 | BPBio1_000976 | HMS1570M08 | p-chloro phenoxy ...
  12. Hydroxymethyl Dasatinib
    CAS: 910297-58-4 Formula: C22H26ClN7O3S Molecular Weight: 504.00
    ● In Stock — US warehouse, ships to EU* Item #: H344766
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    IUPAC Name
    N-[2-chloro-6-(hydroxymethyl)phenyl]-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
    SMILES
    CC1=NC(=CC(=N1)N2CCN(CC2)CCO)NC3=NC=C(S3)C(=O)NC4=C(C=CC=C4Cl)CO
    InChIKey
    KZNOWBHQESWSTD-UHFFFAOYSA-N
    InChI
    1S/C22H26ClN7O3S/c1-14-25-18(11-19(26-14)30-7-5-29(6-8-30)9-10-31)27-22-24-12-17(34-22)21(33)28-20-15(13-32)3-2-4-16(20)23/h2-4,11-12,31-32H,5-10,13H2show more
    Synonyms
    5-Thiazolecarboxamide, N-(2-chloro-6-(hydroxymethyl)phenyl)-2-((6-(4-(2-hydroxyethyl)-1-piperazinyl)-2-methyl-4-pyrim...
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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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