Drug Metabolite

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  1. Ferulic acid acyl-β-D-glucoside
    CAS: 7196-71-6 PubChem CID: 13962928 Formula: C16H20O9 Molecular Weight: 356.32
    ◐ .Made to order · 8–12 wks Item #: F647348
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    IUPAC Name
    [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
    SMILES
    COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O)O
    InChIKey
    JWRQVQWBNRGGPK-PMQCXRHVSA-N
    InChI
    1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16+/m1/s1
    Synonyms
    1446756-47-3 | D93553 | DTXSID90873563 | NCGC00385766-01 | L-alpha-Dipalmitoylphosphatidylserine | A-D-glucoside | CH...
  2. GS-443902 trisodium
    CAS: 1355050-21-3 PubChem CID: 139266778 Formula: C12H13N5Na3O13P3 Molecular Weight: 597.15
    ◐ .Made to order · 8–12 wks Item #: G647597
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    IUPAC Name
    tetrasodium;[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphorylshow more
    SMILES
    C1=C2C(=NC=NN2C(=C1)C3(C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)C#N)N.[Na+].[Na+].[Na+].[Na+]
    InChIKey
    GONGCFUOBMNVIT-ZTYDICHKSA-J
    InChI
    1S/C12H16N5O13P3.4Na/c13-4-12(8-2-1-6-11(14)15-5-16-17(6)8)10(19)9(18)7(28-12)3-27-32(23,24)30-33(25,26)29-31(20,21)22;;;;/h1-2,5,7,9-10,18-19H,3H2,(Hshow more
  3. 4-Hydroxymephenytoin-d3
    CAS: 1173022-56-4 PubChem CID: 45039459 Formula: C12H11D3N2O3 Molecular Weight: 237.27
    ◐ .Made to order · 8–12 wks Item #: H647546
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    IUPAC Name
    5-ethyl-5-(4-hydroxyphenyl)-3-(trideuteriomethyl)imidazolidine-2,4-dione
    SMILES
    CCC1(C(=O)N(C(=O)N1)C)C2=CC=C(C=C2)O
    InChIKey
    OQPLORUDZLXXPD-BMSJAHLVSA-N
    InChI
    1S/C12H14N2O3/c1-3-12(8-4-6-9(15)7-5-8)10(16)14(2)11(17)13-12/h4-7,15H,3H2,1-2H3,(H,13,17)/i2D3
    Synonyms
    5-Ethyl-5-(4-hydroxyphenyl)-3-methyl-d3 hydantoin, 99 atom % D | 5-ethyl-5-(4-hydroxyphenyl)-3-(trideuteriomethyl)imi...
  4. 3-Methoxytyramine-d4 hydrochloride
    CAS: 1216788-76-9 EC Number: 998-853-5 Formula: C9H10D4ClNO2 Molecular Weight: 207.69
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98 atom% D,≥96%(CP)
    ● In Stock — US warehouse, ships to EU* Item #: M648076
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    Synonyms
    3-Methoxy Dopamine-D4 Hydrochloride
  5. m-Nifedipine
    CAS: 21881-77-6 EC Number: 244-628-5 PubChem CID: 89082 Formula: C17H18N2O6 Molecular Weight: 346.33
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ◐ .Made to order · 8–12 wks Item #: M647981
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    IUPAC Name
    dimethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
    SMILES
    CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC
    InChIKey
    MCTRZKAKODSRLQ-UHFFFAOYSA-N
    InChI
    1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-6-5-7-12(8-11)19(22)23/h5-8,15,18H,1-4H3
    Synonyms
    Bay A4339 | Z90339137 | AKOS040733655 | SY275733 | BAY-a 4339 | SR-01000323977-1 | SR-01000323977-2 | 3,5-dimethyl 2,...
  6. Cyhalofop acid
    CAS: 122008-78-0 EC Number: 808-439-7 PubChem CID: 15118048 Formula: C16H12FNO4 Molecular Weight: 301.27
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥96%
    ◐ .Made to order · 8–12 wks Item #: C648586
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    IUPAC Name
    (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid
    SMILES
    CC(C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F
    InChIKey
    ROBSGBGTWRRYSK-SNVBAGLBSA-N
    InChI
    1S/C16H12FNO4/c1-10(16(19)20)21-12-3-5-13(6-4-12)22-15-7-2-11(9-18)8-14(15)17/h2-8,10H,1H3,(H,19,20)/t10-/m1/s1
    Synonyms
    Propanoic acid, 2-(4-(4-cyano-2-fluorophenoxy)phenoxy)-, (R)- | Q27261536 | (R)-2-(4-(4-Cyano-2-fluorophenoxy)phenoxy...
  7. ACP-5862
    CAS: 2230757-47-6 PubChem CID: 135177281 Formula: C26H23N7O3 Molecular Weight: 481.5
    ◐ .Made to order · 8–12 wks Item #: A649021
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    IUPAC Name
    4-[8-amino-3-[4-(but-2-ynoylamino)butanoyl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
    SMILES
    CC#CC(=O)NCCCC(=O)C1=NC(=C2N1C=CN=C2N)C3=CC=C(C=C3)C(=O)NC4=CC=CC=N4
    InChIKey
    XZAATUBTUPPERZ-UHFFFAOYSA-N
    InChI
    1S/C26H23N7O3/c1-2-6-21(35)29-14-5-7-19(34)25-32-22(23-24(27)30-15-16-33(23)25)17-9-11-18(12-10-17)26(36)31-20-8-3-4-13-28-20/h3-4,8-13,15-16H,5,7,14Hshow more
  8. Devaleryl Valsartan Impurity
    CAS: 676129-92-3 PubChem CID: 10315945 Formula: C19H21N5O2 Molecular Weight: 351.4
    ◐ .Made to order · 8–12 wks Item #: D649628
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    IUPAC Name
    (2S)-3-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoic acid
    SMILES
    CC(C)C(C(=O)O)NCC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3
    InChIKey
    NSXSCTCKWRSTHJ-KRWDZBQOSA-N
    InChI
    1S/C19H21N5O2/c1-12(2)17(19(25)26)20-11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)18-21-23-24-22-18/h3-10,12,17,20H,11H2,1-2H3,(H,25,26)(H,21,22,23,24)/t17-/show more
  9. Sulindac sulfide
    CAS: 49627-27-2 EC Number: 250-892-2, 256-403-9 PubChem CID: 5352624 Formula: C20H17FO2S Molecular Weight: 340.41
    Solid 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 #: S649952
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    IUPAC Name
    2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid
    SMILES
    CC1=C(C2=C(C1=CC3=CC=C(C=C3)SC)C=CC(=C2)F)CC(=O)O
    InChIKey
    LFWHFZJPXXOYNR-MFOYZWKCSA-N
    InChI
    1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
    Synonyms
    5-Fluoro-2-methyl-1-(4-methylthiobenzylidene)inden-3-yl acetic acid | SCHEMBL2586650 | SMR001551689 | Sulindac sulfid...
  10. Apalutamide-COOH
    CAS: 1332391-04-4 PubChem CID: 86683488 Formula: C20H12F4N4O3S Molecular Weight: 464.39
    ◐ .Made to order · 8–12 wks Item #: A650293
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    Technical Identifiers
    SMILES
    C1CC2(C1)C(=O)N(C(=S)N2C3=CC(=C(C=C3)C(=O)O)F)C4=CC(=C(N=C4)C#N)C(F)(F)F
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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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