valproic acid

Ligand id: 7009

Name: valproic acid

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 37.3
Molecular weight 144.12
XLogP 2.74
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1978))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name
2-propylpentanoic acid
International Nonproprietary Names
INN number INN
3300 valproic acid
Synonyms
A-44090 | Depakote® | Epilim® | valproate sodium
Comments
Valproic acid is a fatty acid with anticonvulsant properties. It is commonly administered in a salt preparation, valproate sodium.
Database Links
CAS Registry No. 99-66-1
ChEMBL Ligand CHEMBL109
DrugBank Ligand DB00313
GtoPdb PubChem SID 178103588
PubChem CID 3121
RCSB PDB Ligand 2PP
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Wikipedia Valproic_acid