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Valontin

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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

Valontin

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 Formula	C₁₆H₃₀CaO₄
Molecular Weight	326.48 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	326.1770003 g/mol
Monoisotopic Mass	326.1770003 g/mol
Topological Polar Surface Area	80.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	87.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

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.)

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