Molecule ID: 45266504

IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-hydroxy-3-(3-methylphenoxy)propyl]azanium;chloride

Description: The molecule is the hydrochloride salt of bevantolol. It has a role as a calcium channel blocker, a beta-adrenergic antagonist, an antihypertensive agent and an anti-arrhythmia drug. It contains a bevantolol.

SMILES: COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC.Cl

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][O][C].[Cl]

InChI: InChI=1S/C20H27NO4.ClH/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3;/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3;1H

Molecular Properties:
- Polar Surface Area: 64.5 Ų
- LogP: nan