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    Calcium Ascorbate

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

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    $ API Ref.Price (USD/KG) : 15Xls

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    2D Structure
    Also known as: 5743-28-2, Calcium l-ascorbate dihydrate, Calcium ascorbate dihydrate, Calcium ascorbate (usp), Calcium ascorbate [usp], 183e4w213w
    Molecular Formula
    C12H18CaO14
    Molecular Weight
    426.34  g/mol
    InChI Key
    RGJHWLDSRIHFKY-FWCDDDAWSA-L
    FDA UNII
    183E4W213W
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-olate;dihydrate
    2.1.2 InChI
    InChI=1S/2C6H8O6.Ca.2H2O/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;;;/h2*2,5,7-10H,1H2;;2*1H2/q;;+2;;/p-2/t2*2-,5+;;;/m00.../s1
    2.1.3 InChI Key
    RGJHWLDSRIHFKY-FWCDDDAWSA-L
    2.1.4 Canonical SMILES
    C(C(C1C(=C(C(=O)O1)[O-])O)O)O.C(C(C1C(=C(C(=O)O1)[O-])O)O)O.O.O.[Ca+2]
    2.1.5 Isomeric SMILES
    C([C@@H]([C@@H]1C(=C(C(=O)O1)[O-])O)O)O.C([C@@H]([C@@H]1C(=C(C(=O)O1)[O-])O)O)O.O.O.[Ca+2]
    2.2 Other Identifiers
    2.2.1 UNII
    183E4W213W
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ester C

    2.3.2 Depositor-Supplied Synonyms

    1. 5743-28-2

    2. Calcium L-ascorbate Dihydrate

    3. Calcium Ascorbate Dihydrate

    4. Calcium Ascorbate (usp)

    5. Calcium Ascorbate [usp]

    6. 183e4w213w

    7. Ester-c

    8. Ins No.302

    9. Calcium (r)-5-((s)-1,2-dihydroxyethyl)-3,4-dihydroxyfuran-2(5h)-one Salt Dihydrate

    10. Ins-302

    11. Vitamin C (as Calcium Ascorbate)

    12. Calcium Ascorbate [usan]

    13. E-302

    14. Unii-183e4w213w

    15. Dsstox_cid_27687

    16. Dsstox_rid_82503

    17. Dsstox_gsid_47687

    18. L-ascorbic Acid, Calcium Salt (2:1), Dihydrate

    19. Calcium Ascorbate [ii]

    20. Calcium Ascorbate [fcc]

    21. Calcium Ascorbate [inci]

    22. Chembl3184533

    23. Dtxsid3047687

    24. Calcium Ascorbate [vandf]

    25. Calcium Ascorbate [usp-rs]

    26. Tox21_303536

    27. Acetic Acid, Calcium Salt, Dihydrate

    28. Mfcd00149216

    29. Calcium Ascorbate [ep Monograph]

    30. Calcium Ascorbate [usp Monograph]

    31. Ncgc00257476-01

    32. E302

    33. Cas-5743-28-2

    34. Calcium Ascorbate Dihydrate [who-dd]

    35. L(+)-ascorbicacidcalciumsaltdihydrate

    36. D02293

    37. Q283033

    38. Calcium;(2r)-2-[(1s)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2h-furan-4-olate;dihydrate

    2.4 Create Date
    2011-12-26
    3 Chemical and Physical Properties
    Molecular Weight 426.34 g/mol
    Molecular Formula C12H18CaO14
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count4
    Exact Mass426.0322461 g/mol
    Monoisotopic Mass426.0322461 g/mol
    Topological Polar Surface Area222 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity232
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count5
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antioxidants

    Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)

    Vitamins

    Organic substances that are required in small amounts for maintenance and growth, but which cannot be manufactured by the human body. (See all compounds classified as Vitamins.)