Drug Metabolite

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  1. Enzalutamide carboxylic acid
    CAS: 1242137-15-0 PubChem CID: 46898522 Formula: C20H13F4N3O3S Molecular Weight: 451.39
    ◐ .Made to order · 8–12 wks Item #: E650376
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    IUPAC Name
    4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorobenzoic acid
    SMILES
    CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)O)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C
    InChIKey
    MECDPCCFIDQBBP-UHFFFAOYSA-N
    InChI
    1S/C20H13F4N3O3S/c1-19(2)17(30)26(11-4-3-10(9-25)14(7-11)20(22,23)24)18(31)27(19)12-5-6-13(16(28)29)15(21)8-12/h3-8H,1-2H3,(H,28,29)
    Synonyms
    Benzoic acid, 4-(3-(4-cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl)-2-fluoro- | MDV3...
  2. Paeoniflorgenin
    CAS: 697300-41-7 PubChem CID: 154925992 Formula: C17H18O6 Molecular Weight: 318.32
    ◐ .Made to order · 8–12 wks Item #: P650826
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    IUPAC Name
    [(2S,3S,5R,6R,8S)-3,6-dihydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate
    SMILES
    CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)O)O
    InChIKey
    GWQHMWOOQLVRLG-BZEIYFPWSA-N
    InChI
    1S/C17H18O6/c1-14-8-16(19)11-7-17(14,20)15(11,13(22-14)23-16)9-21-12(18)10-5-3-2-4-6-10/h2-6,11,13,19-20H,7-9H2,1H3/t11-,13?,14+,15+,16-,17-/m1/s1
  3. 4-Hydroperoxy cyclophosphamide
    CAS: 39800-16-3 PubChem CID: 38347 Formula: C7H15Cl2N2O4P Molecular Weight: 293.08
    ◐ .Made to order · 8–12 wks Item #: H650960
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    IUPAC Name
    N,N-bis(2-chloroethyl)-4-hydroperoxy-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
    SMILES
    C1COP(=O)(NC1OO)N(CCCl)CCCl
    InChIKey
    VPAWVRUHMJVRHU-UHFFFAOYSA-N
    InChI
    1S/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(13)10-7(15-12)1-6-14-16/h7,12H,1-6H2,(H,10,13)
    Synonyms
    DTXCID7028984 | AKOS030255895 | FT-0669274 | SCHEMBL1650261 | 4-Hydroperoxyphosphamide | CCRIS 2541 | 4-Hydroperoxycy...
  4. Acetaminophen glucuronide (APAP-glu)
    CAS: 16110-10-4 EC Number: 694-366-4 Formula: C14H17NO8 Molecular Weight: 327.29
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    ◐ .Made to order · 8–12 wks Item #: A651386
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    IUPAC Name
    (2S,3S,4S,5R,6S)-6-(4-acetamidophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
    SMILES
    CC(=O)NC1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O
    InChIKey
    IPROLSVTVHAQLE-BYNIDDHOSA-N
    InChI
    1S/C14H17NO8/c1-6(16)15-7-2-4-8(5-3-7)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h2-5,9-12,14,17-19H,1H3,(H,15,16)(H,20,21)/t9-,10-,11+,12-,14+/m0/s1
    Synonyms
    4-acetamidophenyl beta-delta-glucopyranosiduronic acid | 4-GLUCURONOSIDOACETANILIDE | DTXSID30936449 | (1,1'-biphenyl...
  5. 3'-Hydroxy Repaglinide-d5
    CAS: 1352792-15-4 PubChem CID: 71749291 Formula: C27H31D5N2O5 Molecular Weight: 473.62
    ◐ .Made to order · 8–12 wks Item #: H651428
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    Technical Identifiers
    IUPAC Name
    4-[2-[[1-[2-(3-hydroxypiperidin-1-yl)phenyl]-3-methylbutyl]amino]-2-oxoethyl]-2-(1,1,2,2,2-pentadeuterioethoxy)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-SGEUAGPISA-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
  6. (2R,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-ol
    CAS: 924854-62-6 PubChem CID: 46781318 Formula: C19H29NO3 Molecular Weight: 319.4
    ◐ .Made to order · 8–12 wks Item #: R669806
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    IUPAC Name
    (2R,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
    SMILES
    [H][C@@]12C[C@@H](O)[C@@H](CC(C)C)CN1CCC1=C2C=C(OC)C(OC)=C1
    InChIKey
    WEQLWGNDNRARGE-BHYGNILZSA-N
    InChI
    1S/C19H29NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/t14-,16-,17+/m0/s1
  7. (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid
    CAS: 23500-15-4 PubChem CID: 15324300 Formula: C9H15NO3 Molecular Weight: 185.22
    ◐ .Made to order · 8–12 wks Item #: P680838
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    Technical Identifiers
    IUPAC Name
    (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid
    SMILES
    CC(C)C(=O)N1CCCC1C(=O)O
    InChIKey
    WKQUFVTUGGLNNO-ZETCQYMHSA-N
    InChI
    1S/C9H15NO3/c1-6(2)8(11)10-5-3-4-7(10)9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)/t7-/m0/s1
  8. 2-Propyl-4-pentenoic Acid
    CAS: 1575-72-0 PubChem CID: 104896 Formula: C8H14O2 Molecular Weight: 142.20
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥97%(GC)
    ● In Stock — US warehouse, ships to EU* Item #: P695457
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    Technical Identifiers
    IUPAC Name
    2-propylpent-4-enoic acid
    SMILES
    CCCC(CC=C)C(=O)O
    InChIKey
    UMYDNZXEHYSVFY-UHFFFAOYSA-N
    InChI
    1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,7H,1,4-6H2,2H3,(H,9,10)
    Synonyms
    2-Allylpentanoic acid | 4-en-VPA | (±)-2-Propyl-4-pentenoic acid | 2-propylpent-4-enoic acid | 2-Propyl-4-pentenoic acid
  9. 2-(4-Chloro-3-sulfamoylbenzoyl)benzoic acid
    CAS: 5270-74-6 EC Number: 226-089-8 PubChem CID: 78924
    ◐ .Made to order · 8–12 wks Item #: B694644
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    Technical Identifiers
    IUPAC Name
    2-(4-chloro-3-sulfamoylbenzoyl)benzoic acid
    SMILES
    C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C(=O)O
    InChIKey
    UKRADWWBRBBJLZ-UHFFFAOYSA-N
    InChI
    1S/C14H10ClNO5S/c15-11-6-5-8(7-12(11)22(16,20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)(H2,16,20,21)
  10. 1,4-Dihydro-1-methyl-4-oxo-3-pyridinecarboxamide
    CAS: 769-49-3 PubChem CID: 440810 Formula: C7H8N2O2 Molecular Weight: 152.15
    ◐ .Made to order · 8–12 wks Item #: D697711
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    Technical Identifiers
    IUPAC Name
    1-methyl-4-oxopyridine-3-carboxamide
    SMILES
    CN1C=CC(=O)C(=C1)C(=O)N
    InChIKey
    KTLRWTOPTKGYQY-UHFFFAOYSA-N
    InChI
    1S/C7H8N2O2/c1-9-3-2-6(10)5(4-9)7(8)11/h2-4H,1H3,(H2,8,11)
  11. 2-Amino-5-bromo-2'-chlorobenzophenone
    CAS: 60773-49-1 PubChem CID: 162923 Formula: C13H9BrClNO Molecular Weight: 310.58
    Solid ≥98%
    ◐ .Made to order · 8–12 wks Item #: A696081
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    Technical Identifiers
    IUPAC Name
    (2-amino-5-bromophenyl)-(2-chlorophenyl)methanone
    SMILES
    C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Br)N)Cl
    InChIKey
    GTLLBGFJGUJABH-UHFFFAOYSA-N
    InChI
    1S/C13H9BrClNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2
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Frequently Asked Questions

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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