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    Calcium 4-methyl-2-oxovalerate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 51828-95-6, Calcium alpha-oxoisocaproate, Unii-5l325uh89s, 5l325uh89s, Einecs 257-457-6, Alpha-ketoisocaproic acid calcium salt
    Molecular Formula
    C12H18CaO6
    Molecular Weight
    298.35  g/mol
    InChI Key
    WQZNGJIBHXYVNW-UHFFFAOYSA-L
    FDA UNII
    5L325UH89S
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;4-methyl-2-oxopentanoate
    2.1.2 InChI
    InChI=1S/2C6H10O3.Ca/c2*1-4(2)3-5(7)6(8)9;/h2*4H,3H2,1-2H3,(H,8,9);/q;;+2/p-2
    2.1.3 InChI Key
    WQZNGJIBHXYVNW-UHFFFAOYSA-L
    2.2 Other Identifiers
    2.2.1 UNII
    5L325UH89S
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 51828-95-6

    2. Calcium Alpha-oxoisocaproate

    3. Unii-5l325uh89s

    4. 5l325uh89s

    5. Einecs 257-457-6

    6. Alpha-ketoisocaproic Acid Calcium Salt

    7. Ketoisocaproic Acid Calcium

    8. Calcium .alpha.-oxoisocaproate

    9. .alpha.-ketoisocaproic Acid Calcium Salt

    10. Pentanoic Acid, 4-methyl-2-oxo-, Calcium Salt

    11. Pentanoic Acid, 4-methyl-2-oxo-, Calcium Salt (2:1)

    12. 257-457-6

    13. Calcium 4-methyl-2-oxopentanoate

    14. Calcium;4-methyl-2-oxopentanoate

    15. 2-ketoleucine Calcium Salt

    16. 4-methyl-2-oxovaleric Acid Calcium Salt

    17. Calcium 2-keto-4-methylvalerate

    18. Calcium Alpha-ketoisocaproate

    19. Schembl3645981

    20. Calcium4-methyl-2-oxopentanoate

    21. Dtxsid20966159

    22. Wqzngjibhxyvnw-uhfffaoysa-l

    23. Akos015833086

    24. Akos015965123

    25. Ac-1920

    26. Calcium .alpha.-ketoisocaproate

    27. Calcium Bis(4-methyl-2-oxopentanoate)

    28. Fm147046

    29. K0023

    30. Ns00088601

    31. F10915

    32. 4-methyl-2-oxovaleric Acid Calcium Salt Hydrate

    33. Q27262506

    2.4 Create Date
    2006-03-21
    3 Chemical and Physical Properties
    Molecular Weight 298.35 g/mol
    Molecular Formula C12H18CaO6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count4
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area114
    Heavy Atom Count19
    Formal Charge0
    Complexity121
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3