Drug Metabolite

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  1. Norfluoxetine, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor;Antagonist of 5-HT 2C receptor;Inhibitor of K 2P2.1;Gating inhibitor of K v3.1
    CAS: 83891-03-6 EC Number: 689-778-6 Formula: C16H16F3NO Molecular Weight: 295.30
    Liquid 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 #: N612363
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    IUPAC Name
    3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
    SMILES
    NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F
    InChIKey
    WIQRCHMSJFFONW-UHFFFAOYSA-N
    InChI
    1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2
    Synonyms
    C16H16F3NO | A840679 | CHEBI:180876 | 3-Phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine # | (+/-)-DESMETHYLFLUOXE...
  2. Nortriptyline, Channel blocker of K ir3.2;Channel blocker of K ir3.4;Channel blocker of K ir4.1;Inhibitor of NET;Inhibitor of SERT
    CAS: 72-69-5 EC Number: 200-788-8 PubChem CID: 4543 Formula: C19H21N Molecular Weight: 263.38
    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%
    ● In Stock — US warehouse, ships to EU* Item #: N612368
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    IUPAC Name
    N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
    SMILES
    CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31
    InChIKey
    PHVGLTMQBUFIQQ-UHFFFAOYSA-N
    InChI
    1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3
    Synonyms
    BIDD:PXR0187 | 5-(alpha-Methylaminopropylidene)dibenzo(a,d)cyclohepta(1,4)diene | Nortriptylinum (INN-Latin) | KBio2_...
  3. ramiprilat, Inhibitor of Angiotensin-converting enzyme
    CAS: 87269-97-4 PubChem CID: 5464096 Formula: C21H28N2O5 Molecular Weight: 388.46
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    ◐ .Made to order · 8–12 wks Item #: R613092
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    IUPAC Name
    (2S,3aS,6aS)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
    SMILES
    CC(C(=O)N1C2CCCC2CC1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O
    InChIKey
    KEDYTOTWMPBSLG-HILJTLORSA-N
    InChI
    1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,2show more
    Synonyms
    Ramiprilat | (2S,3aS,6aS)-1-[(2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-c...
  4. Loxoprofen-SRS, Inhibitor of COX-2
    CAS: 83648-76-4 Formula: C15H20O3 Molecular Weight: 248.32
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: H610859
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    Synonyms
    BDBM50140321 | Loxoprofen trans alcohol | CCG-52173 | 926CB5J9Z0 | HY-W037981 | GTPL11973 | CHEBI:76204 | compound 5a...
  5. 5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
    CAS: 1257705-09-1 PubChem CID: 67479440 Formula: C17H19N5O2S Molecular Weight: 357.43
    ◐ .Made to order · 8–12 wks Item #: P627862
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    IUPAC Name
    5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
    SMILES
    C1CS(=O)(=O)CCN1CC2=CC=C(C=C2)C3=CC=CC4=NC(=NN43)N
    InChIKey
    BYWJAVQGRJEEHH-UHFFFAOYSA-N
    InChI
    1S/C17H19N5O2S/c18-17-19-16-3-1-2-15(22(16)20-17)14-6-4-13(5-7-14)12-21-8-10-25(23,24)11-9-21/h1-7H,8-12H2,(H2,18,20)
    Synonyms
    5-[4-(1,1-Dioxothiomorpholin-4-ylmethyl)-phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine | 5-{-4-[(1,1-dioxidothiomor...
  6. Fodipir
    CAS: 118248-91-2 PubChem CID: 60683 Formula: C22H32N4O14P2 Molecular Weight: 638.46
    ◐ .Made to order · 8–12 wks Item #: F646204
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    IUPAC Name
    2-[2-[carboxymethyl-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]ethyl-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-ylshow more
    SMILES
    CC1=NC=C(C(=C1O)CN(CCN(CC2=C(C(=NC=C2COP(=O)(O)O)C)O)CC(=O)O)CC(=O)O)COP(=O)(O)O
    InChIKey
    SQKUFYLUXROIFM-UHFFFAOYSA-N
    InChI
    1S/C22H32N4O14P2/c1-13-21(31)17(15(5-23-13)11-39-41(33,34)35)7-25(9-19(27)28)3-4-26(10-20(29)30)8-18-16(12-40-42(36,37)38)6-24-14(2)22(18)32/h5-6,31-3show more
    Synonyms
    DTXSID1043960 | Fodipir [USAN] | Fodipir [USAN:INN] | FODIPIR | Fodipir (USAN/INN) | HY-108869 | N,N'-1,2-ETHANEDIYLB...
  7. GS-704277
    CAS: 1911579-04-8 PubChem CID: 121313150 Formula: C15H19N6O8P Molecular Weight: 442.32
    ◐ .Made to order · 8–12 wks Item #: G646269
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    IUPAC Name
    (2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]amino]propanoic acid
    SMILES
    CC(C(=O)O)NP(=O)(O)OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O
    InChIKey
    IYHPTSNEWCZBDF-NIFWRESRSA-N
    InChI
    1S/C15H19N6O8P/c1-7(14(24)25)20-30(26,27)28-4-9-11(22)12(23)15(5-16,29-9)10-3-2-8-13(17)18-6-19-21(8)10/h2-3,6-7,9,11-12,22-23H,4H2,1H3,(H,24,25)(H2,1show more
  8. Remdesivir nucleoside monophosphate
    CAS: 1911578-74-9 PubChem CID: 121310009 Formula: C12H14N5O7P Molecular Weight: 371.24
    ◐ .Made to order · 8–12 wks Item #: R646243
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    Technical Identifiers
    IUPAC Name
    [(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
    SMILES
    C1=C2C(=NC=NN2C(=C1)C3(C(C(C(O3)COP(=O)(O)O)O)O)C#N)N
    InChIKey
    ZBHOHJWLOOFLMW-LTGWCKQJSA-N
    InChI
    1S/C12H14N5O7P/c13-4-12(8-2-1-6-11(14)15-5-16-17(6)8)10(19)9(18)7(24-12)3-23-25(20,21)22/h1-2,5,7,9-10,18-19H,3H2,(H2,14,15,16)(H2,20,21,22)/t7-,9-,10show more
  9. N-Desmethyl imatinib-d8
    CAS: 1185103-28-9 Formula: C28H21D8N7O Molecular Weight: 487.63
    ◐ .Made to order · 8–12 wks Item #: N646887
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    IUPAC Name
    N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)methyl]benzamide
    SMILES
    CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCNCC3)NC4=NC=CC(=N4)C5=CN=CC=C5
    InChIKey
    BQQYXPHRXIZMDM-DBVREXLBSA-N
    InChI
    1S/C28H29N7O/c1-20-4-9-24(17-26(20)34-28-31-12-10-25(33-28)23-3-2-11-30-18-23)32-27(36)22-7-5-21(6-8-22)19-35-15-13-29-14-16-35/h2-12,17-18,29H,13-16,show more
    Synonyms
    N-(4-Methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[(2,2,3,3,5,5,6,6-~2~H_8_)piperazin-1-yl]methyl}benza...
  10. DL-Laudanosine
    CAS: 1699-51-0 EC Number: 216-923-9 PubChem CID: 15548 Formula: C21H27NO4 Molecular Weight: 357.44
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: D647214
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    IUPAC Name
    1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
    SMILES
    CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC
    InChIKey
    KGPAYJZAMGEDIQ-UHFFFAOYSA-N
    InChI
    1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3
    Synonyms
    (+-)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinoline | DTXSID00871873 | Spectrum_000863 | NCGC000173...
  11. Monomethyl fumarate-d3
    CAS: 1616345-41-5 Formula: C5H3D3O4 Molecular Weight: 133.12
    ◐ .Made to order · 8–12 wks Item #: M647338
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    IUPAC Name
    (E)-4-oxo-4-(trideuteriomethoxy)but-2-enoic acid
    SMILES
    COC(=O)C=CC(=O)O
    InChIKey
    NKHAVTQWNUWKEO-SMQGVBCRSA-N
    InChI
    1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+/i1D3
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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.
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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.
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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.
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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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