Compound: Bevantolol
SMILES: O(c1cc(ccc1)C)CC(O)CNCCc2cc(OC)c(OC)cc2
InChIKey: HXLAFSUPPDYFEO-UHFFFAOYSA-N
Synonyms: Bevantolol, 59170-23-9, Bevantololum, 1-(3,4-Dimethoxyphenethylamino)-3-(m-tolyloxy)-2-propanol, (+-)-bevantolol, 1-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-3-(3-methylphenoxy)-2-propanol, NSC-132348, 34ZXW6ZV21, 1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-(3-methylphenoxy)propan-2-ol, 1-(3,4-dimethoxyphenethylamino)-3-m-tolyloxy-propan-2-ol, CHEBI:238698, DTXSID70860597, 1-[2-(3,4-Dimethoxy-phenyl)-ethylamino]-3-m-tolyloxy-propan-2-ol, CI-775, 1-[[2-(3,4-Dimethoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)-2-propanol, 1-(2-(3,4-Dimethoxy-phenyl)-ethylamino)-3-m-tolyloxy-propan-2-ol, 1-((2-(3,4-dimethoxyphenyl)ethyl)amino)-3-(3-methylphenoxy)propan-2-ol, RefChem:119574, C07AB06, DTXCID80197265, Bevantololum [INN-Latin], 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol, Bevantolol [INN:BAN], 1-((3,4-Dimethoxyphenethyl)amino)-3-(m-tolyloxy)propan-2-ol, (+/-)-Bevantolol; DL-Bevantolol; NSC 132348, BRN 2769444, UNII-34ZXW6ZV21, (+/-)-bevantolol, BEVANTOLOL [MI], BEVANTOLOL [INN], BEVANTOLOL [WHO-DD], SCHEMBL49721, MLS003876814, CHEMBL314010, orb1688900, SCHEMBL29688254, SCHEMBL30536507, HXLAFSUPPDYFEO-UHFFFAOYSA-N, HMS3604B08, HY-A0249, EBC-08523, NSC132348, 2-Propanol, 1-((2-(3,4-dimethoxyphenyl)ethyl)amino)-3-(3-methylphenoxy)-, AKOS016014301, DB01295, NSC 132348, SMR002529477, ()-Bevantolol; DL-Bevantolol; NSC 132348, EN300-741859, SBI-0653887.0001, L013370, Q1956953, BRD-A18233884-003-02-7, Z31382955, 1-[[2-(3,4-dimethoxyphenyl) ethyl]amino]-3-(3-methyl-phenoxy)-2-propanol, (+/-)-1-((3,4-DIMETHOXYPHENETHYL)AMINO)-3-(M-TOLYLOXY)-2-PROPANOL, 2-PROPANOL, 1-((2-(3,4-DIMETHOXYPHENYL)ETHYL)AMINO)-3-(3-METHYLPHENOXY)-, (+/-)-
Theoretical properties:
molecular_formula: C20H27NO4
molecular_weight: 345.4 g/mol
exact_mass: 345.19400834 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 10
heavy_atom_count: 25
topological_polar_surface_area: 60 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 137-138 °C
solubility: 1.37e-02 g/L
Descriptions:
pubchem: Bevantolol is a propanolamine that is 3-aminopropane-1,2-diol in which the hydrogen of the primary hydroxy group is substituted by 3-methylphenyl and one of the hydrogens attached to the nitrogen is substituted by 2-(3,4-dimethoxyphenyl)ethyl. A beta1 adrenoceptor antagonist, it has been shown to be as effective as other beta-blockers for the treatment of angina pectoris and hypertension. It has a role as a beta-adrenergic antagonist, an antihypertensive agent, an anti-arrhythmia drug and a calcium channel blocker.
chebi: A propanolamine that is 3-aminopropane-1,2-diol in which the hydrogen of the primary hydroxy group is substituted by 3-methylphenyl and one of the hydrogens attached to the nitrogen is substituted by 2-(3,4-dimethoxyphenyl)ethyl. A β<small><sub>1</sub></small> adrenoceptor antagonist, it has been shown to be as effective as other β-blockers for the treatment of angina pectoris and hypertension.
chembl: BEVANTOLOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Bevantolol (INN) was a drug candidate for angina and hypertension that acted as both a beta blocker and a calcium channel blocker. It was discovered and developed by Warner-Lambert but in January 1989 the company announced that it had withdrawn the New Drug Application; the company's chairman said: "Who needs the 30th beta blocker?" As of 2016 it wasn't marketed in the US, UK, or Europe and the authors of a Cochrane review could find no product monograph for it.