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    CAS 57664-96-7

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    CAS 57664-96-7
    Also known as: 57664-96-7, (5alpha)-4,5-epoxy-14-hydroxy-3-methoxymorphinan-6-one, Chembl3527426, Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, (5alpha)-, 95q949779d, (4r,4as,7ar,12bs)-4a-hydroxy-9-methoxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
    Molecular Formula
    C17H19NO4
    Molecular Weight
    301.34  g/mol
    InChI Key
    RIKMCJUNPCRFMW-ISWURRPUSA-N
    FDA UNII
    95Q949779D
    1 2D Structure

    CAS 57664-96-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
    2.1.2 InChI
    InChI=1S/C17H19NO4/c1-21-11-3-2-9-8-12-17(20)5-4-10(19)15-16(17,6-7-18-12)13(9)14(11)22-15/h2-3,12,15,18,20H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
    2.1.3 InChI Key
    RIKMCJUNPCRFMW-ISWURRPUSA-N
    2.1.4 Canonical SMILES
    COC1=C2C3=C(CC4C5(C3(CCN4)C(O2)C(=O)CC5)O)C=C1
    2.1.5 Isomeric SMILES
    COC1=C2C3=C(C[C@@H]4[C@]5([C@]3(CCN4)[C@@H](O2)C(=O)CC5)O)C=C1
    2.2 Other Identifiers
    2.2.1 UNII
    95Q949779D
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 57664-96-7

    2. (5alpha)-4,5-epoxy-14-hydroxy-3-methoxymorphinan-6-one

    3. Chembl3527426

    4. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, (5alpha)-

    5. 95q949779d

    6. (4r,4as,7ar,12bs)-4a-hydroxy-9-methoxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

    7. Oxykodon

    8. Unii-95q949779d

    9. Einecs 260-887-7

    10. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, (5.alpha.)-

    11. Schembl4705032

    12. Dtxsid60973261

    13. Chebi:168092

    14. Zinc2572820

    15. Bdbm50505669

    16. Norcodeinone, Dihydro-14-hydroxy-

    17. Q27271817

    18. Oxycodone Hydrochloride Impurity C [ep Impurity]

    19. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, (5alpha)- (9ci)

    20. (1s,5r,13r,17s)-17-hydroxy-10-methoxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one

    21. (4r,4as,7ar,12bs)-4a-hydroxy-9-methoxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzouro[3,2-e]isoquinolin-7-one

    22. (4r,4as,7ar,12bs)-4a-hydroxy-9-methoxy-2,3,4,4a,5,6-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-7(7ah)-one

    2.4 Create Date
    2005-06-01
    3 Chemical and Physical Properties
    Molecular Weight 301.34 g/mol
    Molecular Formula C17H19NO4
    XLogP30.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass301.13140809 g/mol
    Monoisotopic Mass301.13140809 g/mol
    Topological Polar Surface Area67.8 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity525
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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              Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best qualit...
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                Cyclopropane methylchloride

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                5911-08-0
                Naltrexone
                Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best qualit...
                Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best quality of Pharmaceutical-intermediates, Bulk drugs and Speciality Chemicals to cater the needs of pharmaceutical companies and drug companies for research and product development purpose
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                euroapi-2024-05-06

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                Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

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