Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 8MR4W4O06J
EPA CompTox DTXSID20151321

Structure

InChI Key CHDPSNLJFOQTRK-LMOVPXPDSA-N
Smiles CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1.Cl
InChI
InChI=1S/C18H29NO3.ClH/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16;/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3;1H/t17-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H30ClNO3
Molecular Weight 343.9
AlogP 2.39
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 50.72
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

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

Target Conservation

Protein: Beta-1 adrenergic receptor

Description: Beta-1 adrenergic receptor

Organism : Homo sapiens

P08588 ENSG00000043591

Cross References

Resources Reference
ChEBI 59256
ChEMBL CHEMBL1200837
FDA SRS 8MR4W4O06J
PubChem 60656
SureChEMBL SCHEMBL42795