Structure

InChI Key RETIMRUQNCDCQB-UHFFFAOYSA-N
Smile Cc1cccc(C)c1NC(=O)C1CCCCN1C.Cl
InChI
InChI=1S/C15H22N2O.ClH/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3;/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23ClN2O
Molecular Weight 282.82
AlogP 2.73
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 32.34
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Sodium channel alpha subunit blocker

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 3 D010146 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 6760
ChEMBL CHEMBL1200440
EPA CompTox DTXSID4031566
FDA SRS 4VFX2L7EM5
PubChem 66070
SureChEMBL SCHEMBL34245