Structure

InChI Key GITPCGSPKUQZTE-UHFFFAOYSA-N
Smile CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC.Cl
InChI
InChI=1S/C16H26N2O3.ClH/c1-4-10-20-15-12-13(17)7-8-14(15)16(19)21-11-9-18(5-2)6-3;/h7-8,12H,4-6,9-11,17H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H27ClN2O3
Molecular Weight 330.86
AlogP 2.56
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 64.79
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Sodium channel alpha subunit blocker PubMed PubMed

Cross References

Resources Reference
ChEMBL CHEMBL1769
EPA CompTox DTXSID6045325
FDA SRS K490D39G46
PubChem 11078
SureChEMBL SCHEMBL24720