Drug Metabolite

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  1. Perphenazine sulfoxide
    CAS: 10078-25-8 PubChem CID: 82341 Formula: C21H26ClN3O2S Molecular Weight: 419.97
    ◐ .Made to order · 8–12 wks Item #: P1339020
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    IUPAC Name
    2-[4-[3-(2-chloro-5-oxophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
    SMILES
    C1CN(CCN1CCCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl)CCO
    InChIKey
    WXJXTMQMAOYROI-UHFFFAOYSA-N
    InChI
    1S/C21H26ClN3O2S/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)28(21)27)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
  2. Phosmet oxon
    CAS: 3735-33-9 PubChem CID: 77323
    ◐ .Made to order · 8–12 wks Item #: P1333965
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    IUPAC Name
    2-(dimethoxyphosphorylsulfanylmethyl)isoindole-1,3-dione
    SMILES
    COP(=O)(OC)SCN1C(=O)C2=CC=CC=C2C1=O
    InChIKey
    BEMXOWRVWRNPPL-UHFFFAOYSA-N
    InChI
    1S/C11H12NO5PS/c1-16-18(15,17-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3
  3. Triiodothyronine sulfate
    CAS: 31135-55-4 Formula: C15H12I3NO7S Molecular Weight: 731
    ◐ .Made to order · 8–12 wks Item #: T1355145
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    IUPAC Name
    (2S)-2-amino-3-[3,5-diiodo-4-(3-iodo-4-sulfooxyphenoxy)phenyl]propanoic acid
    SMILES
    C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I)I)OS(=O)(=O)O
    InChIKey
    XBQYQXVJBNDCGY-LBPRGKRZSA-N
    InChI
    1S/C15H12I3NO7S/c16-9-6-8(1-2-13(9)26-27(22,23)24)25-14-10(17)3-7(4-11(14)18)5-12(19)15(20)21/h1-4,6,12H,5,19H2,(H,20,21)(H,22,23,24)/t12-/m0/s1
  4. Vicine
    CAS: 152-93-2 EC Number: 205-809-4 Formula: C10H16N4O7 Molecular Weight: 304.26
    ◐ .Made to order · 8–12 wks Item #: V1365084
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    IUPAC Name
    2,4-diamino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrimidin-6-one
    SMILES
    C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(N=C(NC2=O)N)N)O)O)O)O
    InChIKey
    KGNGTSCIQCLKEH-SYCVNHKBSA-N
    InChI
    1S/C10H16N4O7/c11-7-6(8(19)14-10(12)13-7)21-9-5(18)4(17)3(16)2(1-15)20-9/h2-5,9,15-18H,1H2,(H5,11,12,13,14,19)/t2-,3-,4+,5-,9+/m1/s1
  5. bicyclo-PGE2
    CAS: 109826-53-1 Formula: C20H30O4 Molecular Weight: 334.400
    ◐ .Made to order · 8–12 wks Item #: B1016265
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    IUPAC Name
    (Z)-7-[(1R,3aS,7aS)-4-butyl-2,5-dioxo-3,3a,4,6,7,7a-hexahydro-1H-inden-1-yl]hept-5-enoic acid
    SMILES
    CCCCC1[C@H]2CC(=O)[C@@H]([C@H]2CCC1=O)C/C=C\CCCC(=O)O
    InChIKey
    CGCZPIJMGKLVTQ-PAJBVNRRSA-N
    InChI
    1S/C20H30O4/c1-2-3-8-16-17-13-19(22)15(14(17)11-12-18(16)21)9-6-4-5-7-10-20(23)24/h4,6,14-17H,2-3,5,7-13H2,1H3,(H,23,24)/b6-4-/t14-,15-,16?,17+/m1/s1
  6. alpha-Cehc
    Formula: C16H22O4 Molecular Weight: 278.34
    ◐ .Made to order · 8–12 wks Item #: A1298391
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    IUPAC Name
    3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propanoic acid
    SMILES
    CC1=C(C2=C(CCC(O2)(C)CCC(=O)O)C(=C1O)C)C
    InChIKey
    AXODOWFEFKOVSH-UHFFFAOYSA-N
    InChI
    1S/C16H22O4/c1-9-10(2)15-12(11(3)14(9)19)5-7-16(4,20-15)8-6-13(17)18/h19H,5-8H2,1-4H3,(H,17,18)
  7. 1,2,3,4,6,7,8-Heptachlorodibenzofuran
    CAS: 67562-39-4 PubChem CID: 38199 Formula: C12HCl7O Molecular Weight: 409.31
    ◐ .Made to order · 8–12 wks Item #: H1353825
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    IUPAC Name
    1,2,3,4,6,7,8-heptachlorodibenzofuran
    SMILES
    C1=C2C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)OC2=C(C(=C1Cl)Cl)Cl
    InChIKey
    WDMKCPIVJOGHBF-UHFFFAOYSA-N
    InChI
    1S/C12HCl7O/c13-3-1-2-4-6(15)7(16)8(17)10(19)12(4)20-11(2)9(18)5(3)14/h1H
  8. 14-HDoHE
    CAS: 87042-40-8 Formula: C22H32O3 Molecular Weight: 344.500
    ◐ .Made to order · 8–12 wks Item #: H985499
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    IUPAC Name
    (4Z,7Z,10Z,12E,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid
    SMILES
    CC/C=C\C/C=C\CC(/C=C/C=C\C/C=C\C/C=C\CCC(=O)O)O
    InChIKey
    ZNEBXONKCYFJAF-BGKMTWLOSA-N
    InChI
    1S/C22H32O3/c1-2-3-4-5-12-15-18-21(23)19-16-13-10-8-6-7-9-11-14-17-20-22(24)25/h3-4,6-7,10-16,19,21,23H,2,5,8-9,17-18,20H2,1H3,(H,24,25)/b4-3-,7-6-,13show more
  9. 20,26-Dihydroxyecdysone
    CAS: 19458-46-9 Formula: C27H44O8 Molecular Weight: 496.6
    ◐ .Made to order · 8–12 wks Item #: D1258466
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    IUPAC Name
    (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6,7-tetrahydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydrshow more
    SMILES
    C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(CO)O)O)O)O
    InChIKey
    RRCGNPRHZQPOOT-FFBSXHGNSA-N
    InChI
    1S/C27H44O8/c1-23(33,14-28)8-7-22(32)26(4,34)21-6-10-27(35)16-11-18(29)17-12-19(30)20(31)13-24(17,2)15(16)5-9-25(21,27)3/h11,15,17,19-22,28,30-35H,5-1show more
  10. 3beta,7alpha-Dihydroxy-5beta-cholan-24-oic Acid
    CAS: 566-24-5 PubChem CID: 164673 Formula: C24H40O4 Molecular Weight: 392.57
    ◐ .Made to order · 8–12 wks Item #: B1045699
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    IUPAC Name
    (4R)-4-[(3S,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-show more
    SMILES
    CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
    InChIKey
    RUDATBOHQWOJDD-JGFDLHJZSA-N
    InChI
    1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,1show more
  11. 3-Hydroxyphenazepam
    CAS: 70030-11-4 PubChem CID: 125820 Formula: C15H10BrClN2O2 Molecular Weight: 365.61
    ◐ .Made to order · 8–12 wks Item #: H1360479
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    IUPAC Name
    7-bromo-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one
    SMILES
    C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)O)Cl
    InChIKey
    KRJKJUWAZOWXNV-UHFFFAOYSA-N
    InChI
    1S/C15H10BrClN2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)
  12. Anhydro simvastatin
    CAS: 210980-68-0 EC Number: 641-863-9 PubChem CID: 58855087 Formula: C25H36O4 Molecular Weight: 400.55
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
    ◐ .Made to order · 8–12 wks Item #: A1333129
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    IUPAC Name
    [(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
    SMILES
    CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC=CC(=O)O3)C
    InChIKey
    BIYWBTKPNWCYHM-RLSQPJRHSA-N
    InChI
    1S/C25H36O4/c1-6-25(4,5)24(27)29-21-15-16(2)14-18-11-10-17(3)20(23(18)21)13-12-19-8-7-9-22(26)28-19/h7,9-11,14,16-17,19-21,23H,6,8,12-13,15H2,1-5H3/t1show more
    Synonyms
    Dehydro simvastatin | (1S,3R,7S,8S,8aR)-3,7-Dimethyl-8-[2-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-h...
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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.
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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