Molecule ID: 23663956

IUPAC Name: sodium;2-propylpentanoate;2-propylpentanoic acid

Description: The molecule is a 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. It has a role as an antimanic drug, an anticonvulsant and a GABA agent. It contains a valproic acid and a sodium valproate.

SMILES: CCCC(CCC)C(=O)O.CCCC(CCC)C(=O)[O-].[Na+]

SELFIES: [C][C][C][C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][O].[C][C][C][C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][O-1].[Na+1]

InChI: InChI=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

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: nan