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CHEBI:4667 - valproate semisodium

Default Structure
ChEBI IDCHEBI:4667
ChEBI Namevalproate semisodium
Stars
DefinitionA mixture of valproic acid and its sodium salt in a 1:1 molar ratio. It is used for the management and treatment of seizure disorders, mania, and prophylactic treatment of migraine headache.
Last Modified20 July 2010
DownloadsMolfile
FormulaC8H15O2.C8H16O2.Na
Net Charge0
Average Mass310.410
Monoisotopic Mass310.21200
SMILESCCCC(CCC)C(=O)O.CCCC(CCC)C(=O)[O-].[Na+]
InChIInChI=1S/2C8H16O2.Na/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+1/p-1
InChIKeyMSRILKIQRXUYCT-UHFFFAOYSA-M
Roles Classification
Biological Role:
GABA agent  A substance, such as agonists, antagonists, degradation or uptake inhibitors, depleters, precursors, and modulators of receptor function, used for its pharmacological actions on GABAergic systems.
Applications:
antimanic drug  Antimanic drugs are agents used to treat bipolar disorders or mania associated with other affective disorders.
anticonvulsant  A drug used to prevent seizures or reduce their severity.
GABA agent  A substance, such as agonists, antagonists, degradation or uptake inhibitors, depleters, precursors, and modulators of receptor function, used for its pharmacological actions on GABAergic systems.
ChEBI Ontology
Outgoing Relation(s)
valproate semisodium (CHEBI:4667) has part sodium valproate (CHEBI:9925)
valproate semisodium (CHEBI:4667) has part valproic acid (CHEBI:39867)
valproate semisodium (CHEBI:4667) has role anticonvulsant (CHEBI:35623)
valproate semisodium (CHEBI:4667) has role antimanic drug (CHEBI:35477)
valproate semisodium (CHEBI:4667) has role GABA agent (CHEBI:51374)
valproate semisodium (CHEBI:4667) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium 2-propylpentanoate—2-propylpentanoic acid (1:1)
INNs  Source
valproate semisodiqueChemIDplus
valproate semisodiumChEBI
valproato semisodicoChemIDplus
valproatum seminatricumChemIDplus
Synonyms  Source
divalproex sodiumChemIDplus
semisodium valproateChEBI
sodium divalproateChemIDplus
sodium hydrogen bis(2-propylpentanoate)ChemIDplus
sodium hydrogen bis(2-propylvalerate)ChemIDplus
sodium hydrogen divalproateChemIDplus
Manual XrefsDatabases
D00304KEGG DRUG
DB00510DrugBank
Registry NumbersSources
Beilstein:8462424Beilstein
CAS:76584-70-8KEGG DRUG
CAS:76584-70-8ChemIDplus