Structure

InChI Key VIDRYROWYFWGSY-UHFFFAOYSA-N
Smile CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1.Cl
InChI
InChI=1S/C12H20N2O3S.ClH/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17;/h4-7,9,12-15H,8H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H21ClN2O3S
Molecular Weight 308.83
AlogP 1.09
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 78.43
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Beta-1 adrenergic receptor antagonist DailyMed Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Atrial Fibrillation 3 D001281 ClinicalTrials
Heart Failure 3 D006333 ClinicalTrials

Cross References

Resources Reference
ChEBI 9207
ChEMBL CHEMBL1700
EPA CompTox DTXSID8021278
FDA SRS HEC37C70XX
SureChEMBL SCHEMBL118761