Drug Metabolite

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  1. 1,7-Dimethylxanthine
    CAS: 611-59-6 EC Number: 210-271-9 Formula: C7H8N4O2 Molecular Weight: 180.16
    ● In Stock — US warehouse, ships to EU* Item #: P137297
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    IUPAC Name
    1,7-dimethyl-3H-purine-2,6-dione
    SMILES
    CN1C=NC2=C1C(=O)N(C(=O)N2)C
    InChIKey
    QUNWUDVFRNGTCO-UHFFFAOYSA-N
    InChI
    1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)
    Synonyms
    Caffeine Impurity F | 1,7-dimethyl-3H-purine-2,6-dione | 1,7-dimethyl-Xanthine | NSC 400018 | p-Xanthine | paraxanthi...
  2. 2-Hydroxymethyl-1-methyl-5-nitro-1H-imidazole
    CAS: 936-05-0 EC Number: 213-312-9 Formula: C5H7N3O3 Molecular Weight: 157.13
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: H141503
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    IUPAC Name
    (1-methyl-5-nitroimidazol-2-yl)methanol
    SMILES
    CN1C(=CN=C1CO)[N+](=O)[O-]
    InChIKey
    JSAQDPJIVQMBAY-UHFFFAOYSA-N
    InChI
    1S/C5H7N3O3/c1-7-4(3-9)6-2-5(7)8(10)11/h2,9H,3H2,1H3
    Synonyms
    AKOS006281636 | D4DG80JB2E | HY-W008216 | A859720 | AKOS040755878 | dimetridazole-2-hydroxy | 2-Hydroxymethyl-1-methy...
  3. Brassicasterol
    CAS: 474-67-9 EC Number: 207-486-5 Formula: C28H46O Molecular Weight: 398.66
    Solid ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: B136332
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    IUPAC Name
    (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthshow more
    SMILES
    CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
    InChIKey
    OILXMJHPFNGGTO-ZAUYPBDWSA-N
    InChI
    1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20show more
    Synonyms
    24(R)-Methylcholesta-5,22E-dien-3beta-ol | CHEBI:3168 | EINECS 207-486-5 | C08813 | Ergosta-5,22-dien-3-ol, (3b,22E)-...
  4. 2-Hydroxymethyl-1-methyl-5-nitro-1H-imidazole
    CAS: 936-05-0 Formula: C5H7N3O3 Molecular Weight: 157.13
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
    ◐ .Made to order · 8–12 wks Item #: H114328
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    IUPAC Name
    (1-methyl-5-nitroimidazol-2-yl)methanol
    SMILES
    CN1C(=CN=C1CO)[N+](=O)[O-]
    InChIKey
    JSAQDPJIVQMBAY-UHFFFAOYSA-N
    InChI
    1S/C5H7N3O3/c1-7-4(3-9)6-2-5(7)8(10)11/h2,9H,3H2,1H3
    Synonyms
    AKOS006281636 | D4DG80JB2E | HY-W008216 | A859720 | AKOS040755878 | dimetridazole-2-hydroxy | 2-Hydroxymethyl-1-methy...
  5. 3-Mercaptoisobutyric Acid
    CAS: 26473-47-2 Formula: C4H8O2S Molecular Weight: 120.17
    ● In Stock — US warehouse, ships to EU* Item #: M158216
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    IUPAC Name
    2-methyl-3-sulfanylpropanoic acid
    SMILES
    CC(CS)C(=O)O
    InChIKey
    MHRDCHHESNJQIS-UHFFFAOYSA-N
    InChI
    1S/C4H8O2S/c1-3(2-7)4(5)6/h3,7H,2H2,1H3,(H,5,6)
    Synonyms
    3-mercapto-2-methylpropanoicacid | (+/-)-3-MERCAPTO-2-METHYLPROPIONIC ACID | 3-mercapto-2-methylpropanoic acid | InCh...
  6. 1-Acetamidoadamantane
    CAS: 880-52-4 EC Number: 212-914-9 Formula: C12H19NO Molecular Weight: 193.29
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: A151178
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    IUPAC Name
    N-(1-adamantyl)acetamide
    SMILES
    CC(=O)NC12CC3CC(C1)CC(C3)C2
    InChIKey
    BCVXYGJCDZPKGV-UHFFFAOYSA-N
    InChI
    1S/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)
    Synonyms
    1-Acetamidotricyclo[3.3.1.1(3,7)]decane | STK355738 | N-(1-Adamantyl)acetamide | InChI=1/C12H19NO/c1-8(14)13-12-5-9-2...
  7. 1-Aminohydantoin Hydrochloride
    CAS: 2827-56-7 EC Number: 700-277-4 Formula: C3H5N3O2·HCl Molecular Weight: 151.55
    Solid ≥98%
    ● In Stock — Germany Item #: A115034
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    IUPAC Name
    1-aminoimidazolidine-2,4-dione;hydrochloride
    SMILES
    C1C(=O)NC(=O)N1N.Cl
    InChIKey
    WEOHANUVLKERQI-UHFFFAOYSA-N
    InChI
    1S/C3H5N3O2.ClH/c4-6-1-2(7)5-3(6)8;/h1,4H2,(H,5,7,8);1H
    Synonyms
    Broact | WEOHANUVLKERQI-UHFFFAOYSA-N | 1-Amino hydantoin hydrochloride | 5-HYDROXYDOPAMINEHYDROCHLORIDE | A819399 | A...
  8. 2-Amino-2-Fluoro-5-Nitrobenzophenone
    CAS: 344-80-9 EC Number: 206-454-8 Formula: C13H9FN2O3 Molecular Weight: 260.22
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: A192869
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    IUPAC Name
    (2-amino-5-nitrophenyl)-(2-fluorophenyl)methanone
    SMILES
    C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)F
    InChIKey
    ZTEHQPVGEHUXHI-UHFFFAOYSA-N
    InChI
    1S/C13H9FN2O3/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-2''-fluorobenzophenone | 2-AMINO-5-NITRO-2'-FLUOROBENZOPHENONE | 2-amino-5-nitro-2'-fluoro-benzopheno...
  9. (2-Amino-5-bromophenyl)(pyridin-2-yl)methanone
    CAS: 1563-56-0 EC Number: 216-352-5 Formula: C12H9BrN2O Molecular Weight: 277.12
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: A191151
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    IUPAC Name
    (2-amino-5-bromophenyl)-pyridin-2-ylmethanone
    SMILES
    C1=CC=NC(=C1)C(=O)C2=C(C=CC(=C2)Br)N
    InChIKey
    KHVZPFKJBLTYCC-UHFFFAOYSA-N
    InChI
    1S/C12H9BrN2O/c13-8-4-5-10(14)9(7-8)12(16)11-3-1-2-6-15-11/h1-7H,14H2
    Synonyms
    SY111696 | Pyridine, 2-(2-amino-5-bromobenzoyl) | -(2'-Amino-5'-bromobenzoyl)pyridine | 4-bromo-2-(pyridine-2-carbony...
  10. 2-[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridylmethylthio]-1H-benzimidazole
    CAS: 103577-40-8 EC Number: 600-451-9 Formula: C16H14F3N3OS Molecular Weight: 353.36
    ● In Stock — US warehouse, ships to EU* Item #: M131690
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    IUPAC Name
    2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole
    SMILES
    CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCC(F)(F)F
    InChIKey
    CCHLMSUZHFPSFC-UHFFFAOYSA-N
    InChI
    1S/C16H14F3N3OS/c1-10-13(20-7-6-14(10)23-9-16(17,18)19)8-24-15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
    Synonyms
    Lansoprazole impurity C [EP] | 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole | ...
  11. 1,3-Dihydro-5-phenyl-1,4-benzodiazepin-2-one
    CAS: 2898-08-0 EC Number: 220-781-3 Formula: C15H12N2O Molecular Weight: 236.27
    Solid ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: D183460
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    Technical Identifiers
    IUPAC Name
    5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
    SMILES
    C1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3
    InChIKey
    IVUAAOBNUNMJQC-UHFFFAOYSA-N
    InChI
    1S/C15H12N2O/c18-14-10-16-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H,17,18)
    Synonyms
    5-PHENYL-1H-BENZO[E][1,4]DIAZEPIN-2(3H)-ONE | 2-Butanone, 3-methylsulfonyl-, O-(N-methylcarbamoyl)oxime | CCG-244429 ...
  12. 4-Hydroxy-3-methoxyphenylacetic Acid(HVA)
    CAS: 306-08-1 EC Number: 206-176-7 Formula: C9H10O4 Molecular Weight: 182.18
    Solid ≥98%(HPLC)
    ● In Stock — US warehouse, ships to EU* Item #: H156999
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    Technical Identifiers
    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...
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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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