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    Calcium Lactate Gluconate

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 7Xls

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    2D Structure
    Also known as: 11116-97-5, Calcium;2-hydroxypropanoate;(2r,3s,4r,5r)-2,3,4,5,6-pentahydroxyhexanoate, Calciumlactategluconate, Schembl303216, Chembl3707385, Q414151
    Molecular Formula
    C9H16CaO10
    Molecular Weight
    324.29  g/mol
    InChI Key
    PWKNEBQRTUXXLT-ZBHRUSISSA-L
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;2-hydroxypropanoate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
    2.1.2 InChI
    InChI=1S/C6H12O7.C3H6O3.Ca/c7-1-2(8)3(9)4(10)5(11)6(12)13;1-2(4)3(5)6;/h2-5,7-11H,1H2,(H,12,13);2,4H,1H3,(H,5,6);/q;;+2/p-2/t2-,3-,4+,5-;;/m1../s1
    2.1.3 InChI Key
    PWKNEBQRTUXXLT-ZBHRUSISSA-L
    2.1.4 Canonical SMILES
    CC(C(=O)[O-])O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Ca+2]
    2.1.5 Isomeric SMILES
    CC(C(=O)[O-])O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Ca+2]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 11116-97-5

    2. Calcium;2-hydroxypropanoate;(2r,3s,4r,5r)-2,3,4,5,6-pentahydroxyhexanoate

    3. Calciumlactategluconate

    4. Schembl303216

    5. Chembl3707385

    6. Q414151

    7. 814-80-2 And 18016-24-5

    8. Calcium,(d-gluconato)(2-hydroxypropanoato)-

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 324.29 g/mol
    Molecular Formula C9H16CaO10
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count4
    Exact Mass324.0369376 g/mol
    Monoisotopic Mass324.0369376 g/mol
    Topological Polar Surface Area202 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity218
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 ATC Code

    A - Alimentary tract and metabolism

    A12 - Mineral supplements

    A12A - Calcium

    A12AA - Calcium

    A12AA06 - Calcium lactate gluconate