Drug Metabolite

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  1. Nordoxepin (hydrochloride) (Standard)
    CAS: 2887-91-4 Formula: C18H20ClNO Molecular Weight: 301.81
    ◐ .Made to order · 8–12 wks Item #: N1443041
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    Technical Identifiers
    IUPAC Name
    3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methylpropan-1-amine;hydrochloride
    SMILES
    CNCCC=C1C2=CC=CC=C2COC3=CC=CC=C31.Cl
    InChIKey
    GNPPEZGJRSOKRE-UHFFFAOYSA-N
    InChI
    1S/C18H19NO.ClH/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18;/h2-5,7-11,19H,6,12-13H2,1H3;1H
  2. Nordoxepin hydrochloride (Mixture of isomers)
    CAS: 2887-91-4 EC Number: 636-684-8 Formula: C18H20ClNO Molecular Weight: 301.81
    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 #: N1444669
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    Technical Identifiers
    IUPAC Name
    3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methylpropan-1-amine;hydrochloride
    SMILES
    CNCCC=C1C2=CC=CC=C2COC3=CC=CC=C31.Cl
    InChIKey
    GNPPEZGJRSOKRE-UHFFFAOYSA-N
    InChI
    1S/C18H19NO.ClH/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18;/h2-5,7-11,19H,6,12-13H2,1H3;1H
  3. Nordoxepin-dhydrochloride
    CAS: 1331665-54-3 PubChem CID: 71751180 Formula: C18H17D3ClNO Molecular Weight: 304.83
    ◐ .Made to order · 8–12 wks Item #: N1443917
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    Technical Identifiers
    IUPAC Name
    (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-(trideuteriomethyl)propan-1-amine;hydrochloride
    SMILES
    CNCCC=C1C2=CC=CC=C2COC3=CC=CC=C31.Cl
    InChIKey
    GNPPEZGJRSOKRE-KJVDRLPBSA-N
    InChI
    1S/C18H19NO.ClH/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18;/h2-5,7-11,19H,6,12-13H2,1H3;1H/b16-10+;/i1D3;
  4. Pseudoerythromycin A enol ether
    CAS: 105882-69-7 PubChem CID: 9875064 Formula: C37H65NO12 Molecular Weight: 715.91
    ◐ .Made to order · 8–12 wks Item #: P1444082
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    Technical Identifiers
    IUPAC Name
    (2R,3R,6R,7S,8S,9R,10R)-3-[(2R,3R)-2,3-dihydroxypentan-2-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-[(2R,4R,5S,6S)-5-hydshow more
    SMILES
    CCC(C(C)(C1C(C2=C(CC(O2)(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)C)C)C)O)O
    InChIKey
    NMIWBQUQCOMGHJ-FYFYGOHNSA-N
    InChI
    1S/C37H65NO12/c1-14-25(39)37(10,43)32-20(4)28-18(2)16-36(9,50-28)31(49-34-27(40)24(38(11)12)15-19(3)45-34)21(5)29(22(6)33(42)48-32)47-26-17-35(8,44-13show more
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R&D Use Only Products supplied for research and development use

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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