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    Valontin

    PharmaCompass
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    2D Structure
    Also known as: 33433-82-8, Valproic acid calcium salt, Valproate calcium, Calcium;2-propylpentanoate, 56cck4f86g, Valontin
    Molecular Formula
    C16H30CaO4
    Molecular Weight
    326.48  g/mol
    InChI Key
    PIZHURYFCSGTJX-UHFFFAOYSA-L
    FDA UNII
    56CCK4F86G
    A fatty acid with anticonvulsant and anti-manic properties that is used in the treatment of EPILEPSY and BIPOLAR DISORDER. The mechanisms of its therapeutic actions are not well understood. It may act by increasing GAMMA-AMINOBUTYRIC ACID levels in the brain or by altering the properties of VOLTAGE-GATED SODIUM CHANNELS.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;2-propylpentanoate
    2.1.2 InChI
    InChI=1S/2C8H16O2.Ca/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
    2.1.3 InChI Key
    PIZHURYFCSGTJX-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].[Ca+2]
    2.2 Other Identifiers
    2.2.1 UNII
    56CCK4F86G
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2 Propylpentanoic Acid

    2. 2-propylpentanoic Acid

    3. Convulsofin

    4. Depakene

    5. Depakine

    6. Depakote

    7. Dipropyl Acetate

    8. Divalproex

    9. Divalproex Sodium

    10. Ergenyl

    11. Magnesium Valproate

    12. Propylisopropylacetic Acid

    13. Semisodium Valproate

    14. Sodium Valproate

    15. Valproate

    16. Valproate Calcium

    17. Valproate Sodium

    18. Valproic Acid

    19. Valproic Acid, Sodium Salt (2:1)

    20. Vupral

    2.3.2 Depositor-Supplied Synonyms

    1. 33433-82-8

    2. Valproic Acid Calcium Salt

    3. Valproate Calcium

    4. Calcium;2-propylpentanoate

    5. 56cck4f86g

    6. Valontin

    7. Calcium 2-propylpentanoate

    8. Calcium Dipropylacetate

    9. Valproic Acid Hemi-calcium Salt

    10. Calcium Bis(2-propylpentanoate)

    11. Dipropylacetic Acid Calcium Salt

    12. 2-propylpentanoic Acid Calcium Salt

    13. Dipropylacetate De Calcium [french]

    14. Dipropylacetate De Calcium

    15. Einecs 251-521-7

    16. Unii-56cck4f86g

    17. Pentanoic Acid, 2-propyl-, Calcium Salt

    18. 2-propylvaleric Acid Calcium Salt (2:1)

    19. Ccris 8570

    20. Convulsofin (tn)

    21. Valeric Acid, 2-propyl-, Calcium Salt (2:1)

    22. Schembl139237

    23. Dtxsid5020237

    24. Akos015915492

    25. D08667

    26. Valeric Acid, 2-propyl-, Calcium Salt

    27. Q27261400

    28. Pentanoic Acid, 2-propyl-, Calcium Salt (2:1)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 326.48 g/mol
    Molecular Formula C16H30CaO4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count8
    Exact Mass326.1770003 g/mol
    Monoisotopic Mass326.1770003 g/mol
    Topological Polar Surface Area80.3 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity87.9
    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 MeSH Pharmacological Classification

    Anticonvulsants

    Drugs used to prevent SEIZURES or reduce their severity. (See all compounds classified as Anticonvulsants.)

    GABA Agents

    Substances used for their pharmacological actions on GABAergic systems. GABAergic agents include agonists, antagonists, degradation or uptake inhibitors, depleters, precursors, and modulators of receptor function. (See all compounds classified as GABA Agents.)

    Antimanic Agents

    Agents that are used to treat bipolar disorders or mania associated with other affective disorders. (See all compounds classified as Antimanic Agents.)

    Enzyme Inhibitors

    Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)