betaxolol (CHEBI:3082)

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ChEBI Name	betaxolol

ChEBI ID	CHEBI:3082

Definition	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 β₁-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.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:101354

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Formula

C18H29NO3

Net Charge

Average Mass

307.42780

Monoisotopic Mass

307.21474

InChI

InChI=1S/C18H29NO3/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

InChIKey

NWIUTZDMDHAVTP-UHFFFAOYSA-N

SMILES

CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	sympatholytic agent Any compound which inhibits the postganglionic functioning of the sympathetic nervous system (SNS). beta-adrenergic antagonist An agent that binds to but does not activate beta-adrenergic receptors thereby blocking the actions of endogenous or exogenous beta-adrenergic agonists. beta-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety.

Application(s):	sympatholytic agent Any compound which inhibits the postganglionic functioning of the sympathetic nervous system (SNS). beta-adrenergic antagonist An agent that binds to but does not activate beta-adrenergic receptors thereby blocking the actions of endogenous or exogenous beta-adrenergic agonists. beta-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.

ChEBI Ontology
Outgoing	betaxolol (CHEBI:3082) has role β-adrenergic antagonist (CHEBI:35530) betaxolol (CHEBI:3082) has role antihypertensive agent (CHEBI:35674) betaxolol (CHEBI:3082) has role sympatholytic agent (CHEBI:66991) betaxolol (CHEBI:3082) is a propanolamine (CHEBI:35533)

Incoming	betaxolol hydrochloride (CHEBI:643228) has part betaxolol (CHEBI:3082) (R)-betaxolol (CHEBI:59251) is a betaxolol (CHEBI:3082) (S)-betaxolol (CHEBI:59254) is a betaxolol (CHEBI:3082)

IUPAC Name

1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-(propan-2-ylamino)propan-2-ol

Synonyms	Sources
1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-((1-methylethyl)amino)-2-propanol	ChemIDplus
1-(isopropylamino)-3-[p-(cyclopropylmethoxyethyl)phenoxy]-2-propanol	ChEBI

Last Modified

22 February 2017

General Comment
2014-04-30	It can be found in samples of urine of individuals who have taken this drug.