Molecule ID: 53262283

IUPAC Name: [3-(4-acetyloxy-2,3,5-trimethylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium;chloride

Description: The molecule is the hydrochloride salt of metipranolol. A non-cardioselective beta-blocker, it is used to lower intra-ocular pressure in the management of open-angle glaucoma. It has a role as a beta-adrenergic antagonist, an anti-arrhythmia drug, an antihypertensive agent and an antiglaucoma drug.

SMILES: CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C.Cl

SELFIES: [C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][=C][Branch1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][P][C].[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

Molecular Properties:
- Polar Surface Area: 72.4 Ų
- LogP: nan