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    Oxycodone Terephthalate

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    RELATED EXCIPIENT COMPANIES

    EXCIPIENTS BY APPLICATIONS

    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: 25333-72-6, 1,4-benzenedicarboxylic acid, compd. with (5alpha)-4,5-epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one, Einecs 246-859-7, Schembl120132, Oxycodone terephthalate (salt), Dtxsid60948176
    Molecular Formula
    C26H27NO8
    Molecular Weight
    481.5  g/mol
    InChI Key
    NRJLPDFIXKADPQ-RKXJKUSZSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;terephthalic acid
    2.1.2 InChI
    InChI=1S/C18H21NO4.C8H6O4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10;9-7(10)5-1-2-6(4-3-5)8(11)12/h3-4,13,16,21H,5-9H2,1-2H3;1-4H,(H,9,10)(H,11,12)/t13-,16+,17+,18-;/m1./s1
    2.1.3 InChI Key
    NRJLPDFIXKADPQ-RKXJKUSZSA-N
    2.1.4 Canonical SMILES
    CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.C1=CC(=CC=C1C(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.C1=CC(=CC=C1C(=O)O)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 25333-72-6

    2. 1,4-benzenedicarboxylic Acid, Compd. With (5alpha)-4,5-epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one

    3. Einecs 246-859-7

    4. Schembl120132

    5. Oxycodone Terephthalate (salt)

    6. Dtxsid60948176

    7. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5alpha)-, 1,4-benzenedicarboxylate (1:1) (salt)

    8. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5alpha)-, 1,4-benzenedicarboxylate (salt)

    9. Morphinan-6-one, 4,5alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-, Terephthalate (1:1) (salt)

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 481.5 g/mol
    Molecular Formula C26H27NO8
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count3
    Exact Mass481.17366682 g/mol
    Monoisotopic Mass481.17366682 g/mol
    Topological Polar Surface Area134 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity722
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2