Drug Metabolite

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  1. Atorvastatin 3-Deoxyhept-2E-Enoic Acid
    CAS: 1105067-93-3 PubChem CID: 71315295 Formula: C33H33FN2O4 Molecular Weight: 540.62
    ◐ .Made to order · 8–12 wks Item #: A1444351
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    IUPAC Name
    (E,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxyhept-2-enoic acid
    SMILES
    CC(C)C1=C(C(=C(N1CCC(CC=CC(=O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
    InChIKey
    MBPXXTUUUBBIRF-LQYYAUOTSA-N
    InChI
    1S/C33H33FN2O4/c1-22(2)31-30(33(40)35-26-12-7-4-8-13-26)29(23-10-5-3-6-11-23)32(24-16-18-25(34)19-17-24)36(31)21-20-27(37)14-9-15-28(38)39/h3-13,15-19show more
  2. (R)-3-Hydroxy Midostaurin
    CAS: 155848-20-7 PubChem CID: 137528284
    ◐ .Made to order · 8–12 wks Item #: R1443886
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    IUPAC Name
    N-[(2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12show more
    SMILES
    CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(NC6=O)O)N(C)C(=O)C9=CC=CC=C9)OC
    InChIKey
    ZZSBPGIGIUFJRA-ZFQVYDAQSA-N
    InChI
    1S/C35H30N4O5/c1-35-31(43-3)23(37(2)34(42)18-11-5-4-6-12-18)17-24(44-35)38-21-15-9-7-13-19(21)25-27-28(33(41)36-32(27)40)26-20-14-8-10-16-22(20)39(35)show more
  3. (R,S)-Norcotinine
    CAS: 17708-87-1 PubChem CID: 413 Formula: C9H10N2O
    ◐ .Made to order · 8–12 wks Item #: R1442427
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    IUPAC Name
    5-pyridin-3-ylpyrrolidin-2-one
    SMILES
    C1CC(=O)NC1C2=CN=CC=C2
    InChIKey
    FXFANIORDKRCCA-UHFFFAOYSA-N
    InChI
    1S/C9H10N2O/c12-9-4-3-8(11-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2,(H,11,12)
  4. (Rac)-Mono(3,5,5-trimethylhexyl) phthalate
    CAS: 297182-83-3 PubChem CID: 71357465 Formula: C17H24O4 Molecular Weight: 292.37
    ◐ .Made to order · 8–12 wks Item #: R1442426
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    IUPAC Name
    2-(3,5,5-trimethylhexoxycarbonyl)benzoate
    SMILES
    CC(CCOC(=O)C1=CC=CC=C1C(=O)[O-])CC(C)(C)C
    InChIKey
    RJFYLVAMNLWRKY-UHFFFAOYSA-M
    InChI
    1S/C17H24O4/c1-12(11-17(2,3)4)9-10-21-16(20)14-8-6-5-7-13(14)15(18)19/h5-8,12H,9-11H2,1-4H3,(H,18,19)/p-1
  5. (S)-Ibuprofen acyl-β-D-glucuronide
    CAS: 98649-76-4 PubChem CID: 92278491
    ◐ .Made to order · 8–12 wks Item #: S1444533
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    IUPAC Name
    (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxyoxane-2-carboxylic acid
    SMILES
    CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O
    InChIKey
    ABOLXXZAJIAUGR-LEBSGKMFSA-N
    InChI
    1S/C19H26O8/c1-9(2)8-11-4-6-12(7-5-11)10(3)18(25)27-19-15(22)13(20)14(21)16(26-19)17(23)24/h4-7,9-10,13-16,19-22H,8H2,1-3H3,(H,23,24)/t10-,13-,14-,15+show more
  6. (±)19(20)-EpDTE
    CAS: 1359721-83-7 PubChem CID: 89861879
    ◐ .Made to order · 8–12 wks Item #: E1444260
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    IUPAC Name
    (7Z,10Z,13Z,16Z)-18-[(2S,3R)-3-ethyloxiran-2-yl]octadeca-7,10,13,16-tetraenoic acid
    SMILES
    CCC1C(O1)CC=CCC=CCC=CCC=CCCCCCC(=O)O
    InChIKey
    LKOFAUCMWTWGQQ-SPPFMMLASA-N
    InChI
    1S/C22H34O3/c1-2-20-21(25-20)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22(23)24/h3-4,7-10,14,16,20-21H,2,5-6,11-13,15,17-19H2,1H3,(H,23,24)/b4-3-,9-show more
  7. 1-Methylxanthine-d
    CAS: 1216430-61-3 PubChem CID: 71433932 Formula: C6H3D3N4O2 Molecular Weight: 169.16
    ◐ .Made to order · 8–12 wks Item #: M1431078
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    IUPAC Name
    1-(trideuteriomethyl)-3,7-dihydropurine-2,6-dione
    SMILES
    CN1C(=O)C2=C(NC1=O)N=CN2
    InChIKey
    MVOYJPOZRLFTCP-FIBGUPNXSA-N
    InChI
    1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)/i1D3
  8. 1-β-D-Glucosylsphingadienine (d18:2 (4E8E))
    CAS: 114200-59-8 PubChem CID: 14079865
    ◐ .Made to order · 8–12 wks Item #: D1443049
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    Technical Identifiers
    IUPAC Name
    (2R,3R,4S,5S,6R)-2-[(2S,3R,4E,8E)-2-amino-3-hydroxyoctadeca-4,8-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    SMILES
    CCCCCCCCCC=CCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)N)O
    InChIKey
    HWRVJNPAUIAOKZ-ONHJFEJBSA-N
    InChI
    1S/C24H45NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h10-11,14-15,18-24,26-30H,2-9,12-13,16-17,25H2show more
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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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