Structure

InChI Key BLWNYSZZZWQCKO-UHFFFAOYSA-N
Smiles CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C.Cl
InChI
InChI=1S/C17H27NO4.ClH/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4;/h7,10,15,18,20H,8-9H2,1-6H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H28ClNO4
Molecular Weight 345.87
AlogP 2.27
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 67.79
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

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

Target Conservation

Protein: Beta-2 adrenergic receptor

Description: Beta-2 adrenergic receptor

Organism : Homo sapiens

P07550 ENSG00000169252
Protein: Beta-1 adrenergic receptor

Description: Beta-1 adrenergic receptor

Organism : Homo sapiens

P08588 ENSG00000043591

Cross References

Resources Reference
ChEBI 34845
ChEMBL CHEMBL1200947
FDA SRS FBW237ALKD
KEGG C13591
PubChem 656682
SureChEMBL SCHEMBL41879