etifoxine   Click here for help

GtoPdb Ligand ID: 5468

Synonyms: HOE 36-801 | HOE-36801
Compound class: Synthetic organic
Comment: 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.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 33.62
Molecular weight 300.1
XLogP 5.12
No. Lipinski's rules broken 1
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Canonical SMILES CCN=C1Nc2ccc(cc2C(O1)(C)c1ccccc1)Cl
Isomeric SMILES CCN=C1Nc2ccc(cc2C(O1)(C)c1ccccc1)Cl
InChI InChI=1S/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
2846 etifoxine
Synonyms Click here for help
HOE 36-801 | HOE-36801
Database Links Click here for help
CAS Registry No. 21715-46-8
ChEMBL Ligand CHEMBL2106227
DrugCentral Ligand 1099
GtoPdb PubChem SID 178102118
PubChem CID 30768
Search Google for chemical match using the InChIKey IBYCYJFUEJQSMK-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey IBYCYJFUEJQSMK-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey IBYCYJFUEJQSMK-UHFFFAOYSA-N
Wikipedia Etifoxine