Drug Metabolite

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  1. 4-Hydroxy-3-methoxyphenylpyruvic acid
    CAS: 1081-71-6 EC Number: 634-613-5 Formula: C10H10O5 Molecular Weight: 210.19
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
    ◐ .Made to order · 8–12 wks Item #: H157222
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    IUPAC Name
    3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoic acid
    SMILES
    COC1=C(C=CC(=C1)CC(=O)C(=O)O)O
    InChIKey
    YGQHQTMRZPHIBB-UHFFFAOYSA-N
    InChI
    1S/C10H10O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,11H,4H2,1H3,(H,13,14)
    Synonyms
    4- Hydroxy-3-methoxy-alpha-oxobenzenepropanoic acid | NSC302091 | NSC-302091 | SY052310 | AKOS000138078 | T71582 | CH...
  2. 3-Hydroxyacetaminophen
    CAS: 37519-14-5 Formula: C8H9NO3 Molecular Weight: 167.16
    ● In Stock — US warehouse, ships to EU* Item #: H347566
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    IUPAC Name
    N-(3,4-dihydroxyphenyl)acetamide
    SMILES
    CC(=O)NC1=CC(=C(C=C1)O)O
    InChIKey
    IPFBMHOMTSBTSU-UHFFFAOYSA-N
    InChI
    1S/C8H9NO3/c1-5(10)9-6-2-3-7(11)8(12)4-6/h2-4,11-12H,1H3,(H,9,10)
    Synonyms
    A874081 | Acetaminophenmetabolite3-hydroxy-acetaminophen | AKOS006273180 | N-(3,4-Dihydroxyphenyl)acetamide # | S1020...
  3. m-Tolylacetic Acid
    CAS: 621-36-3 Formula: C9H10O2 Molecular Weight: 150.18
    ● In Stock — US warehouse, ships to EU* Item #: M158763
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    IUPAC Name
    2-(3-methylphenyl)acetic acid
    SMILES
    CC1=CC(=CC=C1)CC(=O)O
    InChIKey
    GJMPSRSMBJLKKB-UHFFFAOYSA-N
    InChI
    1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
    Synonyms
    (3-Methylphenyl)acetate | AKOS000154311 | Q27160204 | m-tolyl acetic acid | m-Methylphenylacetate | 2-m-tolyl acetic ...
  4. 4-Epioxytetracycline
    CAS: 14206-58-7 Formula: C22H24N2O9 Molecular Weight: 460.44
    ● In Stock — US warehouse, ships to EU* Item #: E337836
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    IUPAC Name
    (4R,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
    SMILES
    CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O
    InChIKey
    OWFJMIVZYSDULZ-DVJPNYBFSA-N
    InChI
    1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1show more
    Synonyms
    Hydroxyquatrimycin; 4-epi-Oxytetracycline; [4R-(4alpha,4abeta,5beta,5abeta,6alpha,12abeta)]-4-(Dimethylamino)-1,4,4a,...
  5. 15-Acetyl Deoxynivalenol
    CAS: 88337-96-6 PubChem CID: 10382483 Formula: C17H22O7 Molecular Weight: 338.35
    ● In Stock — US warehouse, ships to EU* Item #: A137556
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    IUPAC Name
    [(1R,2R,3S,7R,9R,10R,12S)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
    SMILES
    CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)COC(=O)C
    InChIKey
    IDGRYIRJIFKTAN-HTJQZXIKSA-N
    InChI
    1S/C17H22O7/c1-8-4-11-16(6-22-9(2)18,13(21)12(8)20)15(3)5-10(19)14(24-11)17(15)7-23-17/h4,10-11,13-14,19,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/show more
    Synonyms
    VOMITOXIN 15-ACETATE | Deoxynivalenol 15-Acetate | 15-Acetyl-deoxynivalenol 100 microg/mL in Acetonitrile | 15-acetyl...
  6. 6α-Hydroxy Paclitaxel
    CAS: 153212-75-0 Formula: C47H51NO15 Molecular Weight: 869.91
    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 #: H352707
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    IUPAC Name
    [(1S,2S,3R,4S,7R,8S,9R,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,8,9-trihydroxy-10,14,17,17-tetramethyl-show more
    SMILES
    CC1=C2C(C(=O)C3(C(C(C(C2(C)C)(CC1OC(=O)C(C(C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)O)O)OC(=O)C6=CC=CC=C6)C7(COC7C(C3O)O)OC(=O)C)C)OC(=O)C
    InChIKey
    NDCWHEDPSFRTDA-FJMWQILYSA-N
    InChI
    1S/C47H51NO15/c1-24-30(61-43(57)33(51)32(27-16-10-7-11-17-27)48-41(55)28-18-12-8-13-19-28)22-47(58)40(62-42(56)29-20-14-9-15-21-29)36-45(6,38(54)35(60show more
    Synonyms
    6.ALPHA.-HYDROXYTAXOL | [(1S,2S,3R,4S,7R,8S,9R,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phen...
  7. (-)-Eburnamonine, Allosteric modulator of M 1 receptor;Allosteric modulator of M 2 receptor;Allosteric modulator of M 3 receptor;Allosteric modulator of M 4 receptor
    CAS: 4880-88-0 EC Number: 225-490-5 Formula: C19H22N2O Molecular Weight: 294.39
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    ● In Stock — US warehouse, ships to EU* Item #: E348350
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    IUPAC Name
    (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-one
    SMILES
    CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(=O)C2
    InChIKey
    WYJAPUKIYAZSEM-MOPGFXCFSA-N
    InChI
    1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1
    Synonyms
    HY-B1180 | NCIStruc2_000870 | 2-((6-(Benzylamino)-9-methyl-9H-purin-2-yl)amino)ethanol | 2-Methyldiphenhydramine | C0...
  8. 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline
    CAS: 694499-26-8 EC Number: 989-873-5 Formula: C13H18F3N3 Molecular Weight: 273.303
    ● In Stock — US warehouse, ships to EU* Item #: M177205
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    IUPAC Name
    4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline
    SMILES
    CN1CCN(CC1)CC2=C(C=C(C=C2)N)C(F)(F)F
    InChIKey
    ZMWAZMYBMAAMAW-UHFFFAOYSA-N
    InChI
    1S/C13H18F3N3/c1-18-4-6-19(7-5-18)9-10-2-3-11(17)8-12(10)13(14,15)16/h2-3,8H,4-7,9,17H2,1H3
    Synonyms
    4-(4-methyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenylamine | 4-(4-methyl-piperazin-1-ylmethyl)-3-trifluoromethyl...
  9. 2-Phenyl-2-(2-pyridyl)acetonitrile
    CAS: 5005-36-7 PubChem CID: 95510 Formula: C13H10N2 Molecular Weight: 194.238
    ● In Stock — US warehouse, ships to EU* Item #: P136340
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    Technical Identifiers
    IUPAC Name
    2-phenyl-2-pyridin-2-ylacetonitrile
    SMILES
    C1=CC=C(C=C1)C(C#N)C2=CC=CC=N2
    InChIKey
    CAXNYFPECZCGFK-UHFFFAOYSA-N
    InChI
    1S/C13H10N2/c14-10-12(11-6-2-1-3-7-11)13-8-4-5-9-15-13/h1-9,12H
    Synonyms
    2-pyridylbenzyl cyanide | BCP08541 | 7beta-Hydroxy DHEA | alpha-Phenyl-2-pyridineacetonitrile | 2-phenyl-2-(pyridin-2...
  10. (S,S)-Hydroxy Bupropion
    CAS: 192374-14-4 Formula: C13H18ClNO2 Molecular Weight: 255.74
    ≥96% Contains: ~7.0% Diisopropyl Ether
    ◐ .Made to order · 8–12 wks Item #: S335484
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    IUPAC Name
    (2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethylmorpholin-2-ol
    SMILES
    CC1C(OCC(N1)(C)C)(C2=CC(=CC=C2)Cl)O
    InChIKey
    RCOBKSKAZMVBHT-TVQRCGJNSA-N
    InChI
    1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1
    Synonyms
    RCOBKSKAZMVBHT-TVQRCGJNSA-N | J-012438 | GW 353162 | DB11790 | Radafaxine [INN] | BDBM50322532 | Radafaxine | (+)-(2S...
  11. 5-(Acetylamino)-2-hydroxybenzoic acid
    CAS: 51-59-2 EC Number: 200-107-4 Formula: C9H9NO4 Molecular Weight: 195.17
    Solid ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: A170719
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    IUPAC Name
    5-acetamido-2-hydroxybenzoic acid
    SMILES
    CC(=O)NC1=CC(=C(C=C1)O)C(=O)O
    InChIKey
    GEFDRROBUCULOD-UHFFFAOYSA-N
    InChI
    1S/C9H9NO4/c1-5(11)10-6-2-3-8(12)7(4-6)9(13)14/h2-4,12H,1H3,(H,10,11)(H,13,14)
    Synonyms
    5-Acetaminosalicylic Acid | 5-Acetylamino-salicylic acid | UNII-9H126Z3PF5 | A935786 | Benzoic acid, 5-(acetylamino)-...
  12. Omeprazole-d3 Sulfone
    CAS: 1189891-71-1 Formula: C17H16D3N3O4S Molecular Weight: 364.43
    ◐ .Made to order · 8–12 wks Item #: O380111
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    IUPAC Name
    2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfonyl]-6-(trideuteriomethoxy)-1H-benzimidazole
    SMILES
    CC1=CN=C(C(=C1OC)C)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC
    InChIKey
    IXEQEYRTSRFZEO-HPRDVNIFSA-N
    InChI
    1S/C17H19N3O4S/c1-10-8-18-15(11(2)16(10)24-4)9-25(21,22)17-19-13-6-5-12(23-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/i3D3
    Synonyms
    Omeprazole sulfone D3 | 2-[(4-Methoxy-3,5-dimethylpyridin-2-yl)methanesulfonyl]-6-[(~2~H_3_)methyloxy]-1H-benzimidazo...
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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.
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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.
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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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