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    Bismuth Subcitrate Potassium

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    2D Structure
    Also known as: Bismuth subcitrate potassium, 880149-29-1, Bismuth subcitrate potassium (usan), S4093, Ccg-270467, A14937
    Molecular Formula
    C12H10BiK5O14+2
    Molecular Weight
    782.67  g/mol
    InChI Key
    PSMGOGIPZBBORN-UHFFFAOYSA-H
    Bismuth Subcitrate Potassium is a soluble, complex bismuth salt of citric acid used in combination with metronidazole and tetracycline to treat stomach ulcers caused by Helicobacter pylori infections.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    bismuth;pentapotassium;2-hydroxypropane-1,2,3-tricarboxylate
    2.1.2 InChI
    InChI=1S/2C6H8O7.Bi.5K/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;/q;;+3;5*+1/p-6
    2.1.3 InChI Key
    PSMGOGIPZBBORN-UHFFFAOYSA-H
    2.1.4 Canonical SMILES
    C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[K+].[K+].[K+].[K+].[K+].[Bi+3]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Bismuth Subcitrate Potassium

    2. 880149-29-1

    3. Bismuth Subcitrate Potassium (usan)

    4. S4093

    5. Ccg-270467

    6. A14937

    7. D09739

    8. Ab01568270_01

    9. Bismuth;pentapotassium;2-hydroxypropane-1,2,3-tricarboxylate

    2.3 Create Date
    2011-08-02
    3 Chemical and Physical Properties
    Molecular Weight 782.67 g/mol
    Molecular Formula C12H10BiK5O14+2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count4
    Exact Mass781.80599 g/mol
    Monoisotopic Mass781.80599 g/mol
    Topological Polar Surface Area281 Ų
    Heavy Atom Count32
    Formal Charge2
    Complexity211
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count8