Drug Metabolite

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  1. 3,4-Dihydroxyphenylacetic acid (DOPAC)
    CAS: 102-32-9 EC Number: 203-024-1 Formula: C8H8O4 Molecular Weight: 168.15
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: D106475
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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...
  2. 3,4-Dimethylbenzoic Acid
    CAS: 619-04-5 Formula: C9H10O2 Molecular Weight: 150.18
    ● In Stock — US warehouse, ships to EU* Item #: D134702
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    IUPAC Name
    3,4-dimethylbenzoic acid
    SMILES
    CC1=C(C=C(C=C1)C(=O)O)C
    InChIKey
    OPVAJFQBSDUNQA-UHFFFAOYSA-N
    InChI
    1S/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)
    Synonyms
    InChI=1/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11) | 4-09-00-01803 (Beilstein Handbook Reference) | OPV...
  3. 3,5-Di-tert-butyl-4-hydroxybenzaldehyde
    CAS: 1620-98-0 EC Number: 216-592-0 Formula: C15H22O2 Molecular Weight: 234.34
    Solid ≥98%(HPLC)
    ● In Stock — US warehouse, ships to EU* Item #: D132664
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    IUPAC Name
    3,5-ditert-butyl-4-hydroxybenzaldehyde
    SMILES
    CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O
    InChIKey
    DOZRDZLFLOODMB-UHFFFAOYSA-N
    InChI
    1S/C15H22O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-9,17H,1-6H3
    Synonyms
    2,6-Di-tert-Butyl-4-formylphenol | 3,5- di-tert-butyl-4-hydroxybenzaldehyde | AE-641/02487004 | AKOS000113376 | 2,6-D...
  4. 3-(2-{imidazo[1,2-b]pyridazin-3-yl}ethynyl)-4-methylbenzoic acid
    CAS: 1300690-48-5 Formula: C16H11N3O2 Molecular Weight: 277.283
    ◐ .Made to order · 8–12 wks Item #: I173260
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    IUPAC Name
    3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoic acid
    SMILES
    CC1=C(C=C(C=C1)C(=O)O)C#CC2=CN=C3N2N=CC=C3
    InChIKey
    SCMPXDBRMCTALZ-UHFFFAOYSA-N
    InChI
    1S/C16H11N3O2/c1-11-4-5-13(16(20)21)9-12(11)6-7-14-10-17-15-3-2-8-18-19(14)15/h2-5,8-10H,1H3,(H,20,21)
    Synonyms
    1300690-48-5|AP-24600|3-(2-(imidazo[1,2-b]pyridazin-3-yl)ethynyl)-4-methylbenzoic acid|AP24600|3-(imidazo[1,2-b]pyrid...
  5. 3-(4-Hydroxy-3-methoxyphenyl)-1-propanol
    CAS: 2305-13-7 EC Number: 680-047-7 Formula: C10H14O3 Molecular Weight: 182.22
    ● In Stock — US warehouse, ships to EU* Item #: H136131
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    IUPAC Name
    4-(3-hydroxypropyl)-2-methoxyphenol
    SMILES
    COC1=C(C=CC(=C1)CCCO)O
    InChIKey
    MWOMNLDJNQWJMK-UHFFFAOYSA-N
    InChI
    1S/C10H14O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h4-5,7,11-12H,2-3,6H2,1H3
    Synonyms
    BRD-K43807558-001-01-6 | CHEBI:4559 | 3-(4-hydroxy-3-methoxyphenyl)-propan-1-ol | 1-Propanol, 3-(4-hydroxy-3-methoxyp...
  6. 3-(Methylphosphinico)propionic acid(MPP)
    CAS: 15090-23-0 EC Number: 239-144-6 Formula: C4H9O4P Molecular Weight: 152.09
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
    ● In Stock — US warehouse, ships to EU* Item #: M133020
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    IUPAC Name
    3-[hydroxy(methyl)phosphoryl]propanoic acid
    SMILES
    CP(=O)(CCC(=O)O)O
    InChIKey
    QXFUBAAEKCHBQY-UHFFFAOYSA-N
    InChI
    1S/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)
    Synonyms
    carboxyethylmethylphosphinic acid | 3-[hydroxy(methyl)phosphoryl]propanoic acid | 2-trichloroacetyl-1H-pyrrole | DTXS...
  7. 3-Bromo-2-methylpropionic Acid
    CAS: 56970-78-6 EC Number: 641-710-6 Formula: C4H7BrO2 Molecular Weight: 167
    Liquid ≥97%(GC)
    ● In Stock — US warehouse, ships to EU* Item #: B135992
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    IUPAC Name
    3-bromo-2-methylpropanoic acid
    SMILES
    CC(CBr)C(=O)O
    InChIKey
    BUPXDXGYFXDDAA-UHFFFAOYSA-N
    InChI
    1S/C4H7BrO2/c1-3(2-5)4(6)7/h3H,2H2,1H3,(H,6,7)
    Synonyms
    3-Bromoisobutyric Acid | 3-bromo-2-methylpropanoicacid | (2RS)-3-BROMO-2-METHYLPROPANOIC ACID | (2RS)-3-Bromo-2-methy...
  8. 3-Methylquinoxaline-2-carboxylic Acid
    CAS: 74003-63-7 EC Number: 635-366-6 Formula: C10H8N2O2 Molecular Weight: 188.183
    ● In Stock — US warehouse, ships to EU* Item #: M136765
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    IUPAC Name
    3-methylquinoxaline-2-carboxylic acid
    SMILES
    CC1=NC2=CC=CC=C2N=C1C(=O)O
    InChIKey
    BJPNADFNSANIPF-UHFFFAOYSA-N
    InChI
    1S/C10H8N2O2/c1-6-9(10(13)14)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3,(H,13,14)
    Synonyms
    A917111 | FT-0672133 | SCHEMBL2056931 | 3-methylquinoxaline-2-carboxylicacid | EN300-226768 | 3-Methyl-2-quinoxalinec...
  9. 4-Hydroxyvaleric acid sodium salt
    CAS: 56279-37-9 EC Number: 829-949-6 Formula: C5H9NaO3 Molecular Weight: 140.11
    ● In Stock — US warehouse, ships to EU* Item #: H337910
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    IUPAC Name
    sodium;4-hydroxypentanoate
    SMILES
    CC(CCC(=O)[O-])O.[Na+]
    InChIKey
    MEGFTCUCXBRUTB-UHFFFAOYSA-M
    InChI
    1S/C5H10O3.Na/c1-4(6)2-3-5(7)8;/h4,6H,2-3H2,1H3,(H,7,8);/q;+1/p-1
    Synonyms
    GHV sodium salt | AS-81113 | GHV (sodium salt) | MFCD28023743 | MEGFTCUCXBRUTB-UHFFFAOYSA-M | EN300-176456 | Pentanoi...
  10. 4-Methoxythiobenzamide
    CAS: 2362-64-3 EC Number: 607-252-6 Formula: CH3OC6H4CSNH2 Molecular Weight: 167.23
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: M101893
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    IUPAC Name
    4-methoxybenzenecarbothioamide
    SMILES
    COC1=CC=C(C=C1)C(=S)N
    InChIKey
    WKWVTPKUHJOVTI-UHFFFAOYSA-N
    InChI
    1S/C8H9NOS/c1-10-7-4-2-6(3-5-7)8(9)11/h2-5H,1H3,(H2,9,11)
    Synonyms
    PS-4410 | SMR000255893 | SCHEMBL201860 | J-515659 | Thio-p-anisamide | STK400095 | MFCD00040993 | (4-methoxy)thiobenz...
  11. 7-Hydroxycoumarin glucuronide sodium salt
    CAS: 168286-98-4 PubChem CID: 23675380 Formula: C15H13NaO9 Molecular Weight: 360.25
    ● In Stock — US warehouse, ships to EU* Item #: H338882
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    IUPAC Name
    sodium;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-oxochromen-7-yl)oxyoxane-2-carboxylate
    SMILES
    C1=CC(=CC2=C1C=CC(=O)O2)OC3C(C(C(C(O3)C(=O)[O-])O)O)O.[Na+]
    InChIKey
    SKHLGBDGEPDEME-KSOKONAESA-M
    InChI
    1S/C15H14O9.Na/c16-9-4-2-6-1-3-7(5-8(6)23-9)22-15-12(19)10(17)11(18)13(24-15)14(20)21;/h1-5,10-13,15,17-19H,(H,20,21);/q;+1/p-1/t10-,11-,12+,13-,15+;/show more
    Synonyms
    7-Hydroxycoumarin glucuronide sodium salt | 7-Hydroxy coumarin glucuronide (sodium salt) | A-D-Glucuronide Sodium Sal...
  12. Cycloguanil Hydrochloride
    CAS: 152-53-4 EC Number: 624-607-0 Formula: C11H15Cl2N5 Molecular Weight: 288.18
    ● In Stock — US warehouse, ships to EU* Item #: C131997
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    IUPAC Name
    1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
    SMILES
    CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.Cl
    InChIKey
    MOUAPRKJJUXEIE-UHFFFAOYSA-N
    InChI
    1S/C11H14ClN5.ClH/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8;/h3-6H,1-2H3,(H4,13,14,15,16);1H
    Synonyms
    MFCD00035308 | SMR002530105 | DS-14609 | NSC3074 | NSC-3074 | 1-(4-Chlorophenyl)-1,6-dihydro-6,6-dimethyl-1,3,5-triaz...
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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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