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    Chemistry

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    Also known as: Calcium glucoheptonate, Calcium gluceptate, Calcium;(2r,3r,4s,5r,6r)-2,3,4,5,6,7-hexahydroxyheptanoate, A-d-glucoheptonic acid calcium salt, Db-043867, Ft-0623394
    Molecular Formula
    C14H26CaO16
    Molecular Weight
    490.42  g/mol
    InChI Key
    FATUQANACHZLRT-UHFFFAOYSA-L
    Calcium Glucoheptonate
    1 2D Structure

    Calcium Glucoheptonate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;2,3,4,5,6,7-hexahydroxyheptanoate
    2.1.2 InChI
    InChI=1S/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2
    2.1.3 InChI Key
    FATUQANACHZLRT-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    C(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.C(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.[Ca+2]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Alpha-glucoheptonic Acid

    2. Alpha-glucoheptonic Acid, Calcium Salt (2:1)

    3. Alpha-glucoheptonic Acid, Calcium Salt (2:1), Heptahydrate

    4. Alpha-glucoheptonic Acid, Magnesium Salt (2:1)

    5. Alpha-glucoheptonic Acid, Potassium Salt

    6. Alpha-glucoheptonic Acid, Sodium Salt

    7. Calcium Gluceptate

    8. Calcium Glucoheptonate

    9. Copper Glucoheptonate

    10. Glucoheptonate

    11. Glucoheptonic Acid

    2.2.2 Depositor-Supplied Synonyms

    1. Calcium Glucoheptonate

    2. Calcium Gluceptate

    3. Calcium;(2r,3r,4s,5r,6r)-2,3,4,5,6,7-hexahydroxyheptanoate

    4. A-d-glucoheptonic Acid Calcium Salt

    5. Db-043867

    6. Ft-0623394

    7. Ft-0637507

    8. Sw222262-1

    9. Bis(2,3,4,5,6,7-hexahydroxyheptanoic Acid)calcium Salt

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 490.42 g/mol
    Molecular Formula C14H26CaO16
    Hydrogen Bond Donor Count12
    Hydrogen Bond Acceptor Count16
    Rotatable Bond Count10
    Exact Mass490.0846756 g/mol
    Monoisotopic Mass490.0846756 g/mol
    Topological Polar Surface Area323 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity202
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count10
    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

    A12AA10 - Calcium glucoheptonate

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    Calcium Glucoheptonate (EP)

    Date of Issue : 2022-06-08

    Valid Till : 2025-07-07

    Written Confirmation Number : WC-0104

    Address of the Firm : #125 & 126, Sipcot Industrial Complex, Hosur-635 126, Tamilnadu 

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    17-Feb-2021
    28-Oct-2024
    KGS
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