Drug Metabolite

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  1. ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
    CAS: 37178-37-3 PubChem CID: 170345 Formula: C11H15NO4 Molecular Weight: 225.24
    ◐ .Made to order · 8–12 wks Item #: E696140
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    IUPAC Name
    ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
    SMILES
    CCOC(=O)C(CC1=CC(=C(C=C1)O)O)N
    InChIKey
    NULMGOSOSZBEQL-QMMMGPOBSA-N
    InChI
    1S/C11H15NO4/c1-2-16-11(15)8(12)5-7-3-4-9(13)10(14)6-7/h3-4,6,8,13-14H,2,5,12H2,1H3/t8-/m0/s1
  2. 4-Oxofenretinide
    CAS: 865536-65-8 PubChem CID: 11258242 Formula: C26H31NO3 Molecular Weight: 405.5
    ◐ .Made to order · 8–12 wks Item #: O725777
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    IUPAC Name
    (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenamide
    SMILES
    CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC=C(C=C2)O)C)C
    InChIKey
    NZVOGZATHCUFRC-KFJFTADJSA-N
    InChI
    1S/C26H31NO3/c1-18(9-14-23-20(3)24(29)15-16-26(23,4)5)7-6-8-19(2)17-25(30)27-21-10-12-22(28)13-11-21/h6-14,17,28H,15-16H2,1-5H3,(H,27,30)/b8-6+,14-9+,show more
  3. 5-Hydroxydiclofenac
    CAS: 69002-84-2 EC Number: 109-891-1 PubChem CID: 3052566 Formula: C14H11Cl2NO3 Molecular Weight: 312.15
    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 #: A708476
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    IUPAC Name
    2-[2-(2,6-dichloroanilino)-5-hydroxyphenyl]acetic acid
    SMILES
    C1=CC(=C(C(=C1)Cl)NC2=C(C=C(C=C2)O)CC(=O)O)Cl
    InChIKey
    VNQURRWYKFZKJZ-UHFFFAOYSA-N
    InChI
    1S/C14H11Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6,17-18H,7H2,(H,19,20)
    Synonyms
    2-(2-((2,6-Dichlorophenyl)amino)-5-hydroxyphenyl)acetic acid
  4. 2-Benzhydrylsulphinylacetic acid
    CAS: 63547-24-0 EC Number: 691-787-5 PubChem CID: 3085267 Formula: C15H14O3S Molecular Weight: 274.3
    Solid ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: A708520
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    IUPAC Name
    2-benzhydrylsulfinylacetic acid
    SMILES
    C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)O
    InChIKey
    QARQPIWTMBRJFX-UHFFFAOYSA-N
    InChI
    1S/C15H14O3S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,16,17)
  5. 4-Desmethoxy Omeprazole
    CAS: 110374-16-8 EC Number: 641-663-1 Formula: C16H17N3O2S Molecular Weight: 315.39
    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 #: D732799
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    IUPAC Name
    2-[(3,5-dimethylpyridin-2-yl)methylsulfinyl]-6-methoxy-1H-benzimidazole
    SMILES
    CC1=CC(=C(N=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)C
    InChIKey
    ZMXZYNHJPJEPAE-UHFFFAOYSA-N
    InChI
    1S/C16H17N3O2S/c1-10-6-11(2)15(17-8-10)9-22(20)16-18-13-5-4-12(21-3)7-14(13)19-16/h4-8H,9H2,1-3H3,(H,18,19)
    Synonyms
    2-(((3,5-Dimethylpyridin-2-yl)methyl)sulfinyl)-5-methoxy-1H-benzo[d]imidazole | 2-[(RS)-[(3,5-Dimethylpyridin-2-yl)me...
  6. 4-Methoxy-5-(3-Morpholinopropoxy)-2-Nitrobenzonitrile
    CAS: 675126-26-8 Formula: C15H19N3O5 Molecular Weight: 321.33
    Solid ≥97%
    ◐ .Made to order · 8–12 wks Item #: M726214
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    IUPAC Name
    4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrobenzonitrile
    SMILES
    COC1=C(C=C(C(=C1)[N+](=O)[O-])C#N)OCCCN2CCOCC2
    InChIKey
    FYCDMKYKGPHRFW-UHFFFAOYSA-N
    InChI
    1S/C15H19N3O5/c1-21-14-10-13(18(19)20)12(11-16)9-15(14)23-6-2-3-17-4-7-22-8-5-17/h9-10H,2-8H2,1H3
    Synonyms
    Gefitinib impurity 1 | 2-Nitro-4-methoxy-5-[3-(morpholin-4-yl)]propoxybenzonitrile | 4-methoxy-5-(3-morpholin-4-ylpro...
  7. (Z)-2-(4-(1,2-Diphenylbut-1-en-1-yl)phenoxy)-N-methylethanamine
    CAS: 31750-48-8 EC Number: 642-987-6 Formula: C25H27NO Molecular Weight: 357.50
    Solid ≥98%
    ◐ .Made to order · 8–12 wks Item #: N709814
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    IUPAC Name
    2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine
    SMILES
    CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCNC)C3=CC=CC=C3
    InChIKey
    NYDCDZSEEAUOHN-IZHYLOQSSA-N
    InChI
    1S/C25H27NO/c1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2/h4-17,26H,3,18-19H2,1-2H3/b25-24-
    Synonyms
    N-Desmethyltamoxifen
  8. AOZ-d4
    CAS: 1188331-23-8 EC Number: 688-227-7 Formula: C3H2D4N2O2 Molecular Weight: 106.12
    ● In Stock — US warehouse, ships to EU* Item #: A741890
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    InChIKey
    KYCJNIUHWNJNCT-LNLMKGTHSA-N
    InChI
    1S/C3H6N2O2/c4-5-1-2-7-3(5)6/h1-2,4H2/i1D2,2D2
    Synonyms
    3-Amino-2-oxazolidinone-d4
  9. 2R,4S-Sacubitril 
    CAS: 761373-05-1 Formula: C24H29NO5 Molecular Weight: 411.49
    ◐ .Made to order · 8–12 wks Item #: R768895
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    Technical Identifiers
    SMILES
    CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O
    InChIKey
    PYNXFZCZUAOOQC-LAUBAEHRSA-N
    InChI
    1S/C24H29NO5/c1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28)/tshow more
  10. 4-Hydroxyestradiol
    CAS: 5976-61-4 EC Number: 637-368-2 Formula: C18H24O3 Molecular Weight: 288.38
    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 #: H769821
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    IUPAC Name
    (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,17-triol
    SMILES
    CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4O)O
    InChIKey
    QOZFCKXEVSGWGS-ZHIYBZGJSA-N
    InChI
    1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1
    Synonyms
    4-Hydroxy-17β-estradiol | 1,3,5(10)-Estratriene-3,4,17β-triol
  11. 4-Hydroxymephenytoin 
    CAS: 61837-65-8 PubChem CID: 119507 Formula: C12H14N2O3 Molecular Weight: 234.25
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    ◐ .Made to order · 8–12 wks Item #: H768903
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    IUPAC Name
    5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione
    SMILES
    CCC1(C(=O)N(C(=O)N1)C)C2=CC=C(C=C2)O
    InChIKey
    OQPLORUDZLXXPD-UHFFFAOYSA-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)
    Synonyms
    5-Ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione | (+/-)-4'-Hydroxymephenytoin | (+/-)-5-Ethyl-5-(4-hydrox...
  12. 5-Hydroxy-8-methoxypsoralen
    CAS: 7471-73-0 PubChem CID: 5385192
    ◐ .Made to order · 8–12 wks Item #: H768293
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    IUPAC Name
    4-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one
    SMILES
    COC1=C2C(=C(C3=C1OC=C3)O)C=CC(=O)O2
    InChIKey
    XPFCGZWOHNGDSP-UHFFFAOYSA-N
    InChI
    1S/C12H8O5/c1-15-12-10-7(4-5-16-10)9(14)6-2-3-8(13)17-11(6)12/h2-5,14H,1H3
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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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