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    Technical details about Tox21_202432, learn more about the structure, uses, toxicity, action, side effects and more

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    Tox21_202432

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    MARKET PLACE

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    Also known as: 4075-81-4, Calcium dipropionate, Calcium propanoate, Propanoic acid, calcium salt, Mycoban, Calcium;propanoate
    Molecular Formula
    C6H10CaO4
    Molecular Weight
    186.22  g/mol
    InChI Key
    BCZXFFBUYPCTSJ-UHFFFAOYSA-L
    FDA UNII
    8AI80040KW
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;propanoate
    2.1.2 InChI
    InChI=1S/2C3H6O2.Ca/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2
    2.1.3 InChI Key
    BCZXFFBUYPCTSJ-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    CCC(=O)[O-].CCC(=O)[O-].[Ca+2]
    2.2 Other Identifiers
    2.2.1 UNII
    8AI80040KW
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 4075-81-4

    2. Calcium Dipropionate

    3. Calcium Propanoate

    4. Propanoic Acid, Calcium Salt

    5. Mycoban

    6. Calcium;propanoate

    7. Propionic Acid, Calcium Salt

    8. Propionic Acid Calcium Salt

    9. Propanoate (calcium)

    10. Propionic Acid Calcium

    11. Calcium Propionate [nf]

    12. 8ai80040kw

    13. Calcium Dipropanoate

    14. Propanoic Acid, Calcium Salt (2:1)

    15. Bioban-c

    16. Calcium Propionate;bioban-c; Calcium Dipropionate

    17. Caswell No. 151

    18. Chebi:81716

    19. Hsdb 907

    20. Einecs 223-795-8

    21. Epa Pesticide Chemical Code 077701

    22. Unii-8ai80040kw

    23. Calciumpropionate

    24. Calcium Propinate

    25. Mfcd00036137

    26. Ca-propionate

    27. Calcium Propionate, Fcc

    28. Dsstox_cid_7556

    29. Ec 223-795-8

    30. Dsstox_rid_78503

    31. Dsstox_gsid_27556

    32. Schembl52363

    33. Ins No.282

    34. Calcium Propionate [mi]

    35. Calcium Propionate [fcc]

    36. Chembl3186661

    37. Dtxsid1027556

    38. Calcium Propionate [hsdb]

    39. Calcium Propionate [inci]

    40. Ins-282

    41. Calcium Propionate [mart.]

    42. Amy37013

    43. Calcium Propionate [who-dd]

    44. Tox21_202432

    45. Calcium Propionate (e 282)

    46. Akos015903218

    47. Ncgc00259981-01

    48. Cas-4075-81-4

    49. E-282

    50. Ft-0623409

    51. P0503

    52. Q417394

    53. Propionic Acid Calcium 1000 Microg/ml In Acetonitrile:water

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 186.22 g/mol
    Molecular Formula C6H10CaO4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count0
    Exact Mass186.0204996 g/mol
    Monoisotopic Mass186.0204996 g/mol
    Topological Polar Surface Area80.3 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity34.6
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 Metabolism/Metabolites

    PROPIONATE IS METABOLIZED LIKE OTHER FATTY ACIDS IN THE MAMMALIAN BODY ... /PROPIONATE/

    Furia, T.E. (ed.). CRC Handbook of Food Additives. 2nd ed. Cleveland: The Chemical Rubber Co., 1972., p. 138

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