Compound: betaxolol
SMILES: O(c1ccc(CCOCC2CC2)cc1)CC(O)CNC(C)C
InChIKey: NWIUTZDMDHAVTP-UHFFFAOYSA-N
Synonyms: betaxolol, 63659-18-7, Betaxololum, SL 75212, O0ZR1R6RZ2, 1-(4-(2-(Cyclopropylmethoxy)ethyl)phenoxy)-3-((1-methylethyl)amino)-2-propanol, DTXSID2022674, ALO-140102 FREE BASE, 2-Propanol, 1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-((1-methylethyl)amino)-, SL-7521210 FREE BASE, 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol, CHEBI:3082, DTXCID102674, 1-(isopropylamino)-3-[p-(cyclopropylmethoxyethyl)phenoxy]-2-propanol, 1-{4-[2-(Cyclopropylmethoxy)ethyl]phenoxy}-3-[(propan-2-yl)amino]propan-2-ol, 1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-(propan-2-ylamino)propan-2-ol, 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-2-propanol, betaxololo, Oxodal, Betoptic susp, Betaxolol Alcon, 1-(isopropylamino)-3-(p-(cyclopropylmethoxyethyl)phenoxy)-2-propanol, Alcon, Betaxolol, 1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-((propan-2-yl)amino)propan-2-ol, 1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-(propan-2-ylamino)propan-2-ol, 2-Propanol, 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-, RefChem:56623, C07AB05, S01ED02, 1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-((1-methylethyl)amino)-propanol, SL75212, Betoptic, Betaxololum [INN-Latin], Betaxolol (INN), KERLEDEX, NCGC00015159-06, BETAXOLOL [INN], Betaxolol [INN:BAN], Dextrobetaxolol, Betaxolol S, 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(isopropylamino)propan-2-ol, CAS-63659-18-7, UNII-O0ZR1R6RZ2, (R)-Betaxolol; (+)-Betaxolol, 1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-(isopropylamino)propan-2-ol, (+/-)-Betaxolol; 1-Isopropylamino-3-[4-(2-cyclopropylmethoxy-ethyl)phenoxy]-2-propanol; Betaxolol; Betoptic S; 2-Propanol, 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-, Betaxolol (Betoptic), Betaxolol (Standard), BETAXOLOL [MI], Prestwick0_000382, Prestwick1_000382, Prestwick2_000382, Prestwick3_000382, BETAXOLOL [VANDF], GlyTouCan:G40554UF, CHEMBL423, BETAXOLOL [WHO-DD], Lopac0_000193, SCHEMBL23530, BSPBio_000563, GTPL549, 108008-51-1, SPBio_002484, BPBio1_000621, orb1300794, orb3025854, HY-B0381R, GLXC-23729, HMS2089I07, HMS3655P17, HMS3884L05, HMS5080M08, G40554UF, HY-B0381, MSK10075, Tox21_110091, BDBM50405521, EBC-26565, s2091, (R)-1-[4-(2-Cyclopropylmethoxy-ethyl)-phenoxy]-3-isopropylamino-propan-2-ol, AKOS015841671, Tox21_110091_1, AC-1115, CCG-204288, DB00195, SDCCGSBI-0050181.P002, 1-[(4-{2-[(cyclopropylmethyl)oxy]ethyl}phenyl)oxy]-3-[(1-methylethyl)amino]propan-2-ol, MRF-0000336, NCGC00015159-04, NCGC00015159-05, NCGC00015159-08, NCGC00015159-09, NCGC00015159-11, NCGC00015159-13, NCGC00015159-14, NCGC00015159-23, NCGC00024863-03, NCGC00024863-04, AS-14125, Cobalt,[(1,2,5,6-h)-1,5-cyclooctadiene][(1,2,3,4,5-h)-1-(trifluoroacetyl)-2,4-cyclopentadien-1-yl]-, FB160758, NS00006058, SW196917-5, C06849, C75987, D07526, SBI-0050181.0001, EN300-18552812, L000125, Q794162, BRD-A02759312-001-02-5, BRD-A02759312-001-03-3, BRD-A02759312-003-03-9, BRD-A02759312-003-11-2, BRD-A02759312-003-23-7, BRD-A02759312-003-24-5, BRD-A02759312-003-25-2, (+/-)-1-(Isopropylamino)-3-[p-(cyclopropylmethoxyethyl)phenoxy]-2-propanol, (.+/-.)-1-[p-[2-(Cyclopropylmethoxy)ethyl]phenoxy]-3-(isopropylamino)-2-propanol, 1-(4-[2-(Cyclopropylmethoxy)ethyl]phenoxy)-3-(isopropylamino)-2-propanol #, 1-[4-(2-(Cyclopropylmethyloxy)ethyl]-phenoxy]-3-[(1-methylethyl)amino]-2-propanol
Theoretical properties:
molecular_formula: C18H29NO3
molecular_weight: 307.4 g/mol
exact_mass: 307.21474379 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 11
heavy_atom_count: 22
topological_polar_surface_area: 50.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 70-72 °C
Descriptions:
pubchem: Betaxolol is a propanolamine that is 3-aminopropane-1,2-diol in which the hydrogen of the primary hydoxy is substituted by a 4-[2-(cyclopropylmethoxy)ethyl]phenyl group and one of the hydrogens attached to the amino group is substituted by isopropyl. It is a selective beta1-receptor blocker and is used in the treatment of glaucoma as well as hypertension, arrhythmias, and coronary heart disease. It is also used to reduce non-fatal cardiac events in patients with heart failure. It has a role as a beta-adrenergic antagonist, an antihypertensive agent and a sympatholytic agent.
chebi: A  propanolamine that is 3-aminopropane-1,2-diol in which the hydrogen of the primary hydoxy is substituted by a 4-[2-(cyclopropylmethoxy)ethyl]phenyl group and one of the hydrogens attached to the amino group is substituted by isopropyl. It is a selective  β<small><sub>1</sub></small>-receptor blocker and is used in the treatment of glaucoma as well as hypertension, arrhythmias, and coronary heart disease. It is also used to reduce non-fatal cardiac events in patients with heart failure.
chembl: BETAXOLOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Betaxolol is a beta blocker used in the treatment of hypertension and angina.
It acts as a selective β1-adrenergic receptor antagonist.
The drug was patented in 1975 and approved for medical use in 1983.