Drug Metabolite

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  1. Desmethyl cariprazine
    CAS: 839712-15-1 PubChem CID: 11338928 Formula: C20H30Cl2N4O Molecular Weight: 413.38
    ◐ .Made to order · 8–12 wks Item #: D646513
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    IUPAC Name
    1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-3-methylurea
    SMILES
    CNC(=O)NC1CCC(CC1)CCN2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl
    InChIKey
    WMQLLTKSISGWHQ-UHFFFAOYSA-N
    InChI
    1S/C20H30Cl2N4O/c1-23-20(27)24-16-7-5-15(6-8-16)9-10-25-11-13-26(14-12-25)18-4-2-3-17(21)19(18)22/h2-4,15-16H,5-14H2,1H3,(H2,23,24,27)
    Synonyms
    1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-3-methylurea | Dcar | SCHEMBL3406924 | UNII-286RCD702...
  2. Etilevodopa hydrochloride
    CAS: 39740-30-2 PubChem CID: 12485237 Formula: C11H16ClNO4 Molecular Weight: 261.7
    ◐ .Made to order · 8–12 wks Item #: E647142
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    IUPAC Name
    ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate;hydrochloride
    SMILES
    CCOC(=O)C(CC1=CC(=C(C=C1)O)O)N.Cl
    InChIKey
    CVQFXVIIFKVRCK-QRPNPIFTSA-N
    InChI
    1S/C11H15NO4.ClH/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;1H/t8-;/m0./s1
  3. Gemfibrozil 1-O-β-glucuronide
    CAS: 91683-38-4 Formula: C21H30O9 Molecular Weight: 426.46
    ◐ .Made to order · 8–12 wks Item #: G647264
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    IUPAC Name
    (2S,3S,4S,5R,6S)-6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
    SMILES
    CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O
    InChIKey
    CJMNXSKEVNPQOK-LVEJAMMSSA-N
    InChI
    1S/C21H30O9/c1-11-6-7-12(2)13(10-11)28-9-5-8-21(3,4)20(27)30-19-16(24)14(22)15(23)17(29-19)18(25)26/h6-7,10,14-17,19,22-24H,5,8-9H2,1-4H3,(H,25,26)/t1show more
    Synonyms
    AKOS027324600 | beta-D-Glucopyranuronic acid, 1-(5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate) | 1-[5-(2,5-Dimethyl...
  4. Demoxepam
    CAS: 963-39-3 PubChem CID: 13756 Formula: C15H11ClN2O2 Molecular Weight: 286.72
    ◐ .Made to order · 8–12 wks Item #: D647683
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    IUPAC Name
    7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one
    SMILES
    C1C(=O)N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3)Cl
    InChIKey
    PSADRZMLSXCSAS-UHFFFAOYSA-N
    InChI
    1S/C15H11ClN2O2/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18(20)9-14(19)17-13/h1-8,20H,9H2
    Synonyms
    7-chloro-4-oxido-5-phenyl-1,3-dihydro-1,4-benzodiazepin-4-ium-2-one | Demoxepam 1.0 mg/ml in Methanol | 7-Chloro-5-ph...
  5. Desbutyl Lumefantrine
    CAS: 355841-11-1 PubChem CID: 9934522 Formula: C26H24Cl3NO Molecular Weight: 472.83
    ◐ .Made to order · 8–12 wks Item #: D647804
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    IUPAC Name
    2-(butylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol
    SMILES
    CCCCNCC(C1=CC(=CC2=C1C3=C(C2=CC4=CC=C(C=C4)Cl)C=C(C=C3)Cl)Cl)O
    InChIKey
    YLBUTQNEBVPTES-NHDPSOOVSA-N
    InChI
    1S/C26H24Cl3NO/c1-2-3-10-30-15-25(31)24-14-19(29)13-23-21(11-16-4-6-17(27)7-5-16)22-12-18(28)8-9-20(22)26(23)24/h4-9,11-14,25,30-31H,2-3,10,15H2,1H3/bshow more
    Synonyms
    2-(Butylamino)-1-[(9Z)-2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl]ethanol | (Z)-2-(Butylamino)-1-(2,7-dichl...
  6. VRT-043198
    CAS: 244133-31-1 PubChem CID: 11443029 Formula: C22H29ClN4O6 Molecular Weight: 480.9
    ◐ .Made to order · 8–12 wks Item #: V648355
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    IUPAC Name
    (3S)-3-[[(2S)-1-[(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
    SMILES
    CC(C)(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=CC(=C(C=C2)N)Cl
    InChIKey
    SOZONDBMOYWSRW-QANKJYHBSA-N
    InChI
    1S/C22H29ClN4O6/c1-22(2,3)18(26-19(31)12-6-7-15(24)14(23)9-12)21(33)27-8-4-5-16(27)20(32)25-13(11-28)10-17(29)30/h6-7,9,11,13,16,18H,4-5,8,10,24H2,1-3show more
    Synonyms
    L-Prolinamide, N-(4-amino-3-chlorobenzoyl)-3-methyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- | Q27089160 | SCHEMBL82...
  7. Lapaquistat
    CAS: 189059-71-0 PubChem CID: 9960389 Formula: C31H39ClN2O8 Molecular Weight: 603.10
    ◐ .Made to order · 8–12 wks Item #: L648651
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    IUPAC Name
    2-[1-[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetic acid
    SMILES
    CC(C)(CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)N3CCC(CC3)CC(=O)O)C4=C(C(=CC=C4)OC)OC)CO
    InChIKey
    HDGUKVZPMPJBFK-LEAFIULHSA-N
    InChI
    1S/C31H39ClN2O8/c1-31(2,18-35)17-34-23-9-8-20(32)15-22(23)28(21-6-5-7-24(40-3)29(21)41-4)42-25(30(34)39)16-26(36)33-12-10-19(11-13-33)14-27(37)38/h5-9show more
    Synonyms
    SCHEMBL227295 | 2-(1-(2-((3R,5S)-1-(3-hydroxy-2,2-dimethylpropyl)-7-chloro-5-(2,3- dimethoxyphenyl)-2-oxo-1,2,3,5-tet...
  8. 5β-Dihydrocortisol
    CAS: 1482-50-4 PubChem CID: 164838 Formula: C21H32O5 Molecular Weight: 364.48
    ● In Stock — US warehouse, ships to EU* Item #: D648868
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    IUPAC Name
    (5R,8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthreshow more
    SMILES
    CC12CCC(=O)CC1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O
    InChIKey
    ACSFOIGNUQUIGE-AIPUTVCKSA-N
    InChI
    1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14+,15+,16+,18-show more
    Synonyms
    (5beta,11beta)-11,17,21-Trihydroxypregnane-3,20-dione | MS-25817 | PD158099 | 5 | Dihydrocortisol | 11beta,17alpha,21...
  9. Flumazenil acid
    CAS: 84378-44-9 PubChem CID: 134757 Formula: C13H10FN3O3 Molecular Weight: 275.24
    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%
    ● In Stock — US warehouse, ships to EU* Item #: F648923
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    IUPAC Name
    8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
    SMILES
    CN1CC2=C(N=CN2C3=C(C1=O)C=C(C=C3)F)C(=O)O
    InChIKey
    SFVXVWJBSJCRJO-UHFFFAOYSA-N
    InChI
    1S/C13H10FN3O3/c1-16-5-10-11(13(19)20)15-6-17(10)9-3-2-7(14)4-8(9)12(16)18/h2-4,6H,5H2,1H3,(H,19,20)
    Synonyms
    8-Fluoro-5-methyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylic acid | DTXSID60233357 | 2- A...
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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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