Divalproex sodium

C16H31NaO4CAS 76584-70-8310.41 g/mol

Open in Covalent MOL file
O−OOHONa+
Carboxylic acid

Properties

Molecular formula
C16H31NaO4
Molar mass
310.41 g/mol
Exact mass
310.2120 Da
logP
1.91Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
76584-70-8
SMILES
CCCC(CCC)C([O-])=O.CCCC(CCC)C(=O)O.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

10 names
  • Pentanoic acid, 2-propyl-, sodium salt (2:1)
  • Sodium hydrogen divalproate
  • Valproate semisodium
  • Abbott 50711
  • Depakote
  • Sodium hydrogen bis(2-propylpentanoate)
  • Sodium hydrogen bis(2-propylvalerate)
  • Epival
  • Valdisoval
  • Depalept

Work with Divalproex sodium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Valproic acid99-66-1Free acid Sodium valproate1069-66-5

Similar compounds

(1s,4r)-4-Propylcyclohexane-1-carboxylic acid38289-27-954 % similar 2-Hexyldecanoic acid25354-97-650 % similar (Trans,trans)-4′-Propyl[1,1′-bicyclohexyl]-4-carboxylic acid65355-32-050 % similar Buciclic acid38289-28-047 % similar D-Norvaline2013-12-947 % similar Norvaline6600-40-447 % similar (±)-Norvaline760-78-147 % similar trans-4-Pentylcyclohexanecarboxylic acid38289-29-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sodium 2-ethylhexanoate19766-89-3 Sodium octanoate1984-06-1

Elsewhere

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