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    Magnesium Citrate

    ACTIVE PHARMA INGREDIENTS

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    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: Magnesium citrate dibasic, anhydrous, 144-23-0, 7779-25-1, Magnesiumcitrate(x:1), Magnesium citrate(x:1), Akos028109527
    Molecular Formula
    C6H6MgO7
    Molecular Weight
    214.41  g/mol
    InChI Key
    DIXGJWCZQHXZNR-UHFFFAOYSA-L
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    magnesium;2-(carboxymethyl)-2-hydroxybutanedioate
    2.1.2 InChI
    InChI=1S/C6H8O7.Mg/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2/p-2
    2.1.3 InChI Key
    DIXGJWCZQHXZNR-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O.[Mg+2]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Magnesium Citrate Dibasic, Anhydrous

    2. 144-23-0

    3. 7779-25-1

    4. Magnesiumcitrate(x:1)

    5. Magnesium Citrate(x:1)

    6. Akos028109527

    7. J-007935

    2.3 Create Date
    2012-08-08
    3 Chemical and Physical Properties
    Molecular Weight 214.41 g/mol
    Molecular Formula C6H6MgO7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count3
    Exact Mass213.9963942 g/mol
    Monoisotopic Mass213.9963942 g/mol
    Topological Polar Surface Area138 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity234
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2