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    Chemistry

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    Also known as: 4-amino-6-((2-amino-1,6-dimethylpyrimidin-1-ium-4-yl)amino)-1,2-dimethylquinolin-1-iumhydrogensulfate
    Molecular Formula
    C17H24N6O8S2
    Molecular Weight
    504.5  g/mol
    InChI Key
    GHBZCGPOPVCUHF-UHFFFAOYSA-N
    Quinapyramine Sulphate
    1 2D Structure

    Quinapyramine Sulphate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-N-(2-amino-1,6-dimethylpyrimidin-1-ium-4-yl)-1,2-dimethylquinolin-1-ium-4,6-diamine;hydrogen sulfate
    2.1.2 InChI
    InChI=1S/C17H20N6.2H2O4S/c1-10-7-14(18)13-9-12(5-6-15(13)22(10)3)20-16-8-11(2)23(4)17(19)21-16;2*1-5(2,3)4/h5-9,18H,1-4H3,(H2,19,20,21);2*(H2,1,2,3,4)
    2.1.3 InChI Key
    GHBZCGPOPVCUHF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=C2C=C(C=CC2=[N+]1C)NC3=NC(=[N+](C(=C3)C)C)N)N.OS(=O)(=O)[O-].OS(=O)(=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 4-amino-6-((2-amino-1,6-dimethylpyrimidin-1-ium-4-yl)amino)-1,2-dimethylquinolin-1-iumhydrogensulfate

    2.3 Create Date
    2013-05-09
    3 Chemical and Physical Properties
    Molecular Weight 504.5 g/mol
    Molecular Formula C17H24N6O8S2
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count2
    Exact Mass504.10970409 g/mol
    Monoisotopic Mass504.10970409 g/mol
    Topological Polar Surface Area256 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity481
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3

    API Reference Price

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    25-May-2021
    24-Oct-2024
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