Drug Metabolite

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  1. O-Desmethyl Mebeverine alcohol hydrochloride
    CAS: 856620-39-8 PubChem CID: 129012195 Formula: C15H26ClNO2 Molecular Weight: 287.83
    ◐ .Made to order · 8–12 wks Item #: O648918
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    Technical Identifiers
    IUPAC Name
    4-[2-[ethyl(4-hydroxybutyl)amino]propyl]phenol;hydrochloride
    SMILES
    CCN(CCCCO)C(C)CC1=CC=C(C=C1)O.Cl
    InChIKey
    BWCVTLCWTXRTLL-UHFFFAOYSA-N
    InChI
    1S/C15H25NO2.ClH/c1-3-16(10-4-5-11-17)13(2)12-14-6-8-15(18)9-7-14;/h6-9,13,17-18H,3-5,10-12H2,1-2H3;1H
  2. Vilazodone carboxylic acid
    CAS: 163521-19-5 PubChem CID: 11201569 Formula: C26H26N4O3 Molecular Weight: 442.52
    ◐ .Made to order · 8–12 wks Item #: V649156
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    IUPAC Name
    5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid
    SMILES
    C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)O
    InChIKey
    RSXUEYFLDNUILS-UHFFFAOYSA-N
    InChI
    1S/C26H26N4O3/c27-16-18-4-6-23-22(13-18)19(17-28-23)3-1-2-8-29-9-11-30(12-10-29)21-5-7-24-20(14-21)15-25(33-24)26(31)32/h4-7,13-15,17,28H,1-3,8-12H2,(show more
    Synonyms
    I11783 | 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]-1-piperazinyl]-2-Benzofurancarboxylic acid | DTXSID70458579 | 5-{4-[4-...
  3. 6-Hydroxybenzbromarone
    CAS: 152831-00-0 PubChem CID: 10320994 Formula: C17H12Br2O4 Molecular Weight: 440.08
    ◐ .Made to order · 8–12 wks Item #: H651069
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    IUPAC Name
    (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-hydroxy-1-benzofuran-3-yl)methanone
    SMILES
    CCC1=C(C2=C(O1)C=C(C=C2)O)C(=O)C3=CC(=C(C(=C3)Br)O)Br
    InChIKey
    FEXBXMFVRKZOOZ-UHFFFAOYSA-N
    InChI
    1S/C17H12Br2O4/c1-2-13-15(10-4-3-9(20)7-14(10)23-13)16(21)8-5-11(18)17(22)12(19)6-8/h3-7,20,22H,2H2,1H3
    Synonyms
    (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-hydroxy-1-benzofuran-3-yl)methanone | (3,5-Dibromo-4-hydroxyphenyl)(2-ethyl-...
  4. 2R,4R-Sacubitril
    CAS: 766480-48-2 Formula: C24H29NO5 Molecular Weight: 411.49
    ◐ .Made to order · 8–12 wks Item #: R651658
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    Technical Identifiers
    SMILES
    [H]N(C(CCC(O)=O)=O)[C@@H](CC(C=C1)=CC=C1C2=CC=CC=C2)C[C@H](C(OCC)=O)C
  5. Regorafénib N-oxyde (M2)
    CAS: 835621-11-9 PubChem CID: 53491674
    ◐ .Made to order · 8–12 wks Item #: R657031
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    IUPAC Name
    4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methyl-1-oxidopyridin-1-ium-2-carboxamide
    SMILES
    CNC(=O)C1=[N+](C=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F)[O-]
    InChIKey
    NUCXNEKIESREQY-UHFFFAOYSA-N
    InChI
    1S/C21H15ClF4N4O4/c1-27-19(31)18-10-13(6-7-30(18)33)34-12-3-5-17(16(23)9-12)29-20(32)28-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,28,29show more
    Synonyms
    Regorafenib N-Oxide(M2) | SCHEMBL15114776 | Regorafenib (Pyridine)-N-oxide | 2-Pyridinecarboxamide, 4-(4-((((4-chloro...
  6. Sofosbuvir impurity D
    Formula: C22H29FN3O9P Molecular Weight: 529.45
    ◐ .Made to order · 8–12 wks Item #: S658889
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    Technical Identifiers
    SMILES
    O=[P@@](N[C@@H](C)C(OC(C)C)=O)(OC[C@H]1[C@H](O)[C@@](F)(C)[C@@H](N2C=CC(NC2=O)=O)O1)OC3=CC=CC=C3
  7. Sofosbuvir impurity E
    Formula: C22H29FN3O9P Molecular Weight: 529.45
    ◐ .Made to order · 8–12 wks Item #: S659099
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    Technical Identifiers
    SMILES
    O=[P@@](N[C@@H](C)C(OC(C)C)=O)(OC[C@@H]1[C@H](O)[C@@](F)(C)[C@H](N2C=CC(NC2=O)=O)O1)OC3=CC=CC=C3
  8. Sofosbuvir impurity B
    Formula: C22H29FN3O9P Molecular Weight: 529.45
    ◐ .Made to order · 8–12 wks Item #: S659323
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    Technical Identifiers
    SMILES
    O=[P@@](N[C@@H](C)C(OC(C)C)=O)(OC[C@@H]1[C@@H](O)[C@](F)(C)[C@@H](N2C=CC(NC2=O)=O)O1)OC3=CC=CC=C3
  9. Lurasidone metabolite 14326 hydrochloride
    Formula: C28H37ClN4O3S Molecular Weight: 545.14
    ◐ .Made to order · 8–12 wks Item #: L659336
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    Technical Identifiers
    SMILES
    O=C([C@]([C@@H]1C[C@H](O)[C@H]2C1)([H])[C@]2([H])C3=O)N3C[C@H]4[C@H](CN(CC5)CCN5C6=NSC7=C6C=CC=C7)CCCC4.Cl
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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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