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    Benzhydrocodone Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    DIGITAL CONTENT

    PATENTS & EXCLUSIVITIES

    PharmaCompass
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    2D Structure
    Also known as: Benzhydrocodone hydrochloride [usan], I894qau7fj, 1379679-42-1, Kp201, Benzhydrocodone hydrochloride (usan), Unii-i894qau7fj
    Molecular Formula
    C25H26ClNO4
    Molecular Weight
    439.9  g/mol
    InChI Key
    VVCUIDHKAHHSAN-RFIUKBLMSA-N
    FDA UNII
    I894QAU7FJ
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] benzoate;hydrochloride
    2.1.2 InChI
    InChI=1S/C25H25NO4.ClH/c1-26-13-12-25-17-9-11-20(29-24(27)15-6-4-3-5-7-15)23(25)30-22-19(28-2)10-8-16(21(22)25)14-18(17)26;/h3-8,10-11,17-18,23H,9,12-14H2,1-2H3;1H/t17-,18+,23-,25-;/m0./s1
    2.1.3 InChI Key
    VVCUIDHKAHHSAN-RFIUKBLMSA-N
    2.1.4 Canonical SMILES
    CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=CC4)OC(=O)C6=CC=CC=C6.Cl
    2.1.5 Isomeric SMILES
    CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=CC4)OC(=O)C6=CC=CC=C6.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    I894QAU7FJ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Benzhydrocodone Hydrochloride [usan]

    2. I894qau7fj

    3. 1379679-42-1

    4. Kp201

    5. Benzhydrocodone Hydrochloride (usan)

    6. Unii-i894qau7fj

    7. Kp-201

    8. Dtxsid901027933

    9. Benzhydrocodone Hydrochloride [who-dd]

    10. D10692

    11. Benzhydrocodone Hydrochloride [orange Book]

    12. Q27280568

    13. Hydrochloride Of 6,7-didehydro-4,5alpha-epoxy-3-methoxy-17-methylmorphinan-6-yl Benzoate

    14. Hydrochloride Of 6,7-didehydro-4,5.alpha.-epoxy-3-methoxy-17-methylmorphinan-6-yl Benzoate

    15. Morphinan-6-ol, 6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, 6-benzoate, Hydrochloride (1:1), (5.alpha.)-

    16. Morphinan-6-ol, 6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, 6-benzoate, Hydrochloride (1:1), (5alpha)-

    2.4 Create Date
    2014-02-18
    3 Chemical and Physical Properties
    Molecular Weight 439.9 g/mol
    Molecular Formula C25H26ClNO4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass439.1550360 g/mol
    Monoisotopic Mass439.1550360 g/mol
    Topological Polar Surface Area48 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity731
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2