Structure

InChI Key GAQAKFHSULJNAK-UHFFFAOYSA-N
Smile CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2.Cl
InChI
InChI=1S/C22H25N3O4S.ClH/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24;/h3-8,15H,2,9-14H2,1H3,(H,23,27);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H26ClN3O4S
Molecular Weight 463.99
AlogP 4.11
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 71.11
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Sodium channel alpha subunit blocker Wikipedia Wikipedia Wikipedia DailyMed

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEBI 60937
ChEMBL CHEMBL1200334
EPA CompTox DTXSID1047786
FDA SRS 71OK3Z1ESP
PubChem 34632
SureChEMBL SCHEMBL41358