Drug Metabolite

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  1. 4'-Hydroxytamoxifen
    CAS: 82413-23-8 PubChem CID: 5284643 Formula: C26H29NO2 Molecular Weight: 387.51
    ◐ .Made to order · 8–12 wks Item #: H1342003
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    IUPAC Name
    4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]phenol
    SMILES
    CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=C(C=C3)O
    InChIKey
    DODQJNMQWMSYGS-QPLCGJKRSA-N
    InChI
    1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
  2. 4'-Hydroxy Diclofenac-13C6
    CAS: 1189656-64-1 PubChem CID: 46781729 Formula: C813C6H11Cl2NO3 Molecular Weight: 318.1
    ◐ .Made to order · 8–12 wks Item #: H1249476
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    IUPAC Name
    2-[6-(2,6-dichloro-4-hydroxyanilino)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]acetic acid
    SMILES
    C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl
    InChIKey
    KGVXVPRLBMWZLG-OLWCKNASSA-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)/i1+1,2+1,3+1,4+1,8+1,12+1
  3. 2-Oxo clopidogrel hydrochloride
    CAS: 109904-27-0 PubChem CID: 46782651 Formula: C16H16ClNO3S Molecular Weight: 337.82
    ◐ .Made to order · 8–12 wks Item #: O1018404
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    IUPAC Name
    methyl 2-(2-chlorophenyl)-2-(2-oxo-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5-yl)acetate;hydrochloride
    SMILES
    COC(=O)C(C1=CC=CC=C1Cl)N2CCC3C(=CC(=O)S3)C2.Cl
    InChIKey
    KCFLQPXPVKZERK-UHFFFAOYSA-N
    InChI
    1S/C16H16ClNO3S.ClH/c1-21-16(20)15(11-4-2-3-5-12(11)17)18-7-6-13-10(9-18)8-14(19)22-13;/h2-5,8,13,15H,6-7,9H2,1H3;1H
  4. 2-[3-Carboxy-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic Acid
    CAS: 1239233-87-4 Formula: C16H17NO5S Molecular Weight: 335.400
    ◐ .Made to order · 8–12 wks Item #: C1042408
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    IUPAC Name
    2-[3-carboxy-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
    SMILES
    CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C(=O)O)C(=O)O
    InChIKey
    WSCLTDCYZOTAKS-UHFFFAOYSA-N
    InChI
    1S/C16H17NO5S/c1-8(2)7-22-12-5-4-10(6-11(12)15(18)19)14-17-9(3)13(23-14)16(20)21/h4-6,8H,7H2,1-3H3,(H,18,19)(H,20,21)
  5. Ferulic acid 4-sulfate
    CAS: 86321-29-1 PubChem CID: 6305574 Formula: C₁₀H₈O₇S・2Na Molecular Weight: 318.21
    ◐ .Made to order · 8–12 wks Item #: F1337293
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    IUPAC Name
    (E)-3-(3-methoxy-4-sulfooxyphenyl)prop-2-enoic acid
    SMILES
    COC1=C(C=CC(=C1)C=CC(=O)O)OS(=O)(=O)O
    InChIKey
    PZPATWACAAOHTJ-HWKANZROSA-N
    InChI
    1S/C10H10O7S/c1-16-9-6-7(3-5-10(11)12)2-4-8(9)17-18(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b5-3+
  6. Ketanserinol
    CAS: 76330-73-9 Formula: C22H24FN3O3 Molecular Weight: 397.400
    ◐ .Made to order · 8–12 wks Item #: K949943
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    IUPAC Name
    3-[2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
    SMILES
    C1CN(CCC1C(C2=CC=C(C=C2)F)O)CCN3C(=O)C4=CC=CC=C4NC3=O
    InChIKey
    CSAITASUWRGAOT-UHFFFAOYSA-N
    InChI
    1S/C22H24FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16,20,27H,9-14H2,(H,24,29)
  7. Deacetylcefotaxime lactone
    CAS: 66340-33-8 PubChem CID: 13080558 Formula: C14H13N5O5S2 Molecular Weight: 395.41
    ◐ .Made to order · 8–12 wks Item #: D1228692
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    IUPAC Name
    (2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[(4R,5R)-3,11-dioxo-10-oxa-6-thia-2-azatricyclo[6.3.0.02,5]undec-1(8)-en-4-yl]-2-methoxyiminoacetamide
    SMILES
    CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C4=C(COC4=O)CS3
    InChIKey
    MCSWUKXFFGUOQE-GHXIOONMSA-N
    InChI
    1S/C14H13N5O5S2/c1-23-18-7(6-4-26-14(15)16-6)10(20)17-8-11(21)19-9-5(2-24-13(9)22)3-25-12(8)19/h4,8,12H,2-3H2,1H3,(H2,15,16)(H,17,20)/b18-7-/t8-,12-/mshow more
  8. Isokotanin B
    CAS: 154160-09-5 PubChem CID: 10432452
    ◐ .Made to order · 8–12 wks Item #: I1252469
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    IUPAC Name
    6-(4,7-dimethoxy-5-methyl-2-oxochromen-6-yl)-7-hydroxy-4-methoxy-5-methylchromen-2-one
    SMILES
    CC1=C(C(=CC2=C1C(=CC(=O)O2)OC)O)C3=C(C=C4C(=C3C)C(=CC(=O)O4)OC)OC
    InChIKey
    SFRGEKKETJXWMS-UHFFFAOYSA-N
    InChI
    1S/C23H20O8/c1-10-20(12(24)6-16-21(10)14(28-4)8-18(25)30-16)23-11(2)22-15(29-5)9-19(26)31-17(22)7-13(23)27-3/h6-9,24H,1-5H3
  9. Netupitant N-Oxide
    CAS: 910808-11-6 PubChem CID: 11848838 Formula: C30H32F6N4O2 Molecular Weight: 594.59
    ◐ .Made to order · 8–12 wks Item #: N1024117
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    IUPAC Name
    2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-4-(2-methylphenyl)pyridin-3-yl]propanamide
    SMILES
    CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CC[N+](CC4)(C)[O-]
    InChIKey
    FKUOVQVMCOPBJS-UHFFFAOYSA-N
    InChI
    1S/C30H32F6N4O2/c1-19-8-6-7-9-23(19)24-17-26(39-10-12-40(5,42)13-11-39)37-18-25(24)38(4)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9show more
  10. GS-8369
    CAS: 182798-83-0 Formula: C11H17N6O4P Molecular Weight: 328.26
    ◐ .Made to order · 8–12 wks Item #: G1272734
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    IUPAC Name
    2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethylphosphonic acid
    SMILES
    C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)CCOCP(=O)(O)O
    InChIKey
    PDHWTDJKKJYOGD-UHFFFAOYSA-N
    InChI
    1S/C11H17N6O4P/c12-11-15-9(14-7-1-2-7)8-10(16-11)17(5-13-8)3-4-21-6-22(18,19)20/h5,7H,1-4,6H2,(H2,18,19,20)(H3,12,14,15,16)
  11. Rivaroxaban N-hydrolyse N-5-chlorothiophene-2-carbaldehyde
    CAS: 1151893-81-0 PubChem CID: 57572379
    ◐ .Made to order · 8–12 wks Item #: R954107
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    IUPAC Name
    2-[2-[N-(5-chlorothiophene-2-carbonyl)-4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]anilino]ethoxy]acetic acid
    SMILES
    C1C(OC(=O)N1C2=CC=C(C=C2)N(CCOCC(=O)O)C(=O)C3=CC=C(S3)Cl)CNC(=O)C4=CC=C(S4)Cl
    InChIKey
    XEOFNNZMYBBFPT-INIZCTEOSA-N
    InChI
    1S/C24H21Cl2N3O7S2/c25-19-7-5-17(37-19)22(32)27-11-16-12-29(24(34)36-16)15-3-1-14(2-4-15)28(9-10-35-13-21(30)31)23(33)18-6-8-20(26)38-18/h1-8,16H,9-13show more
  12. Mono-2-ethyl-5-hydroxyhexyl phthalate
    CAS: 40321-99-1 PubChem CID: 170295 Formula: C16H22O5 Molecular Weight: 294.34
    ◐ .Made to order · 8–12 wks Item #: M1355170
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    Technical Identifiers
    IUPAC Name
    2-(2-ethyl-5-hydroxyhexoxy)carbonylbenzoic acid
    SMILES
    CCC(CCC(C)O)COC(=O)C1=CC=CC=C1C(=O)O
    InChIKey
    RYPQSGURZSTFSX-UHFFFAOYSA-N
    InChI
    1S/C16H22O5/c1-3-12(9-8-11(2)17)10-21-16(20)14-7-5-4-6-13(14)15(18)19/h4-7,11-12,17H,3,8-10H2,1-2H3,(H,18,19)
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What can I find under Drug Metabolite?
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.
What should I consider when picking a compound for Drug Metabolite?
Consider the reported potency of each Drug Metabolite compound and the assay behind it, selectivity against closely related targets, cell permeability if you are working in cells, and stability in your buffer. Two chemically distinct compounds giving the same phenotype is much stronger evidence than one.
What quality information is provided for Drug Metabolite compounds?
Each Drug Metabolite product page lists purity, identity data, molecular formula and weight, and storage conditions, with a lot-specific Certificate of Analysis available. Solubility and handling notes are on the datasheet. All products are supplied for professional research and development use only, and are not for use in humans, animals, diagnostics, or therapy.
Can I search Drug Metabolite compounds by activity or structure?
Yes. Filter the Drug Metabolite listing by mechanism — inhibitor, agonist, antagonist — and search by target name or gene symbol, CAS number, molecular formula, or SMILES to reach exact structures and close analogs. For bulk quantities or items not listed, contact [email protected].

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