Details of the Drug

General Information of Drug (ID: DMX6PLV)

Drug Name
Sodium valproate
Synonyms
Sodium valproate; Sodium 2-propylpentanoate; 1069-66-5; Valproate sodium; Valproic acid sodium salt; Labazene; Eurekene; Orfiril; Valproic acid sodium; Epilim; Valerin; Natrium valproat; Sodium 2-propylvalerate; 2-Propylvaleric acid sodium salt; Pentanoic acid, 2-propyl-, sodium salt; 2-Propylpentanoic acid sodium salt; DEPACON; Sodium dipropylacetate; Dipropylacetate sodium; Sodium bispropylacetate; Valproinsaeure, natrium; Sodium n-dipropylacetate; UNII-5VOM6GYJ0D; Valproic Acid, Sodium Salt; Valproic Acid (sodium salt); Sodium 2
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 166.19
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Chemical Identifiers
Formula
C8H15NaO2
IUPAC Name
sodium;2-propylpentanoate
Canonical SMILES
CCCC(CCC)C(=O)[O-].[Na+]
InChI
InChI=1S/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKey
AEQFSUDEHCCHBT-UHFFFAOYSA-M
Cross-matching ID
PubChem CID
16760703
ChEBI ID
CHEMBL433
CAS Number
1069-66-5
TTD ID
D0R5HK
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
GABA transaminase (ABAT) TTT2LD9 GABT_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Influence of a GABA transaminase inhibitor on central nervous system oxygen toxicity. Aviat Space Environ Med. 1978 Jul;49(7):877-9.