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    Quinidine Polygalacturonate

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Quinidine galacturonate, 7681-28-9, (s)-[(2r,5r)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;(2s,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid, Galacturonic acid, compound with (9s)-6'-methoxycinchonan-9-ol, Einecs 231-663-6, Quinidine polygalacturonate
    Molecular Formula
    C26H34N2O9
    Molecular Weight
    518.6  g/mol
    InChI Key
    KUTGSSTVCUKONV-JWVVETNKSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
    2.1.2 InChI
    InChI=1S/C20H24N2O2.C6H10O7/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;7-1-2(8)3(9)4(10)5(11)6(12)13/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-5,8-11H,(H,12,13)/t13-,14?,19+,20-;2-,3+,4+,5-/m00/s1
    2.1.3 InChI Key
    KUTGSSTVCUKONV-JWVVETNKSA-N
    2.1.4 Canonical SMILES
    COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.C(=O)C(C(C(C(C(=O)O)O)O)O)O
    2.1.5 Isomeric SMILES
    COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3CC4CCN3C[C@@H]4C=C)O.C(=O)[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Quinidine Polygalacturonate

    2.2.2 Depositor-Supplied Synonyms

    1. Quinidine Galacturonate

    2. 7681-28-9

    3. (s)-[(2r,5r)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;(2s,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-oxohexanoic Acid

    4. Galacturonic Acid, Compound With (9s)-6'-methoxycinchonan-9-ol

    5. Einecs 231-663-6

    6. Quinidine Polygalacturonate

    7. Cardioquin (tn)

    8. 27555-34-6

    9. D00643

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 518.6 g/mol
    Molecular Formula C26H34N2O9
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count9
    Exact Mass518.22643067 g/mol
    Monoisotopic Mass518.22643067 g/mol
    Topological Polar Surface Area181 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity648
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2