etifoxine

Ligand id: 5468

Name: etifoxine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 33.62
Molecular weight 300.1
XLogP 6.04
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-chloro-N-ethyl-4-methyl-4-phenyl-2,4-dihydro-1H-3,1-benzoxazin-2-imine
International Nonproprietary Names
INN number INN
2846 etifoxine
Synonyms
HOE 36-801 | HOE-36801
Database Links
CAS Registry No. 21715-46-8
ChEMBL Ligand CHEMBL2106227
PubChem CID 30768
Search Google for chemical match using the InChIKey IBYCYJFUEJQSMK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IBYCYJFUEJQSMK
Search PubMed clinical trials etifoxine
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Search UniChem for chemical match using the InChIKey IBYCYJFUEJQSMK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IBYCYJFUEJQSMK
Wikipedia Etifoxine
Comments
Etifoxine is an racemic mixture of two enantiomers, which are represented on PubChem by CID 16742574 and CID 16742573. The structure shown here does not specify stereochemistry and represents the mixture.