bevantolol (CHEBI:238698)

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ChEBI Name	bevantolol

ChEBI ID	CHEBI:238698

Definition	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 β₁ adrenoceptor antagonist, it has been shown to be as effective as other β-blockers for the treatment of angina pectoris and hypertension.

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

Supplier Information

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Formula

C20H27NO4

Net Charge

Average Mass

345.43270

Monoisotopic Mass

345.19401

InChI

InChI=1S/C20H27NO4/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

InChIKey

HXLAFSUPPDYFEO-UHFFFAOYSA-N

SMILES

COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC

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):	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. calcium channel blocker One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools.

Application(s):	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. anti-arrhythmia drug A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres.

ChEBI Ontology
Outgoing	bevantolol (CHEBI:238698) has role β-adrenergic antagonist (CHEBI:35530) bevantolol (CHEBI:238698) has role anti-arrhythmia drug (CHEBI:38070) bevantolol (CHEBI:238698) has role antihypertensive agent (CHEBI:35674) bevantolol (CHEBI:238698) has role calcium channel blocker (CHEBI:38215) bevantolol (CHEBI:238698) is a propanolamine (CHEBI:35533)

Incoming	bevantolol hydrochloride (CHEBI:31282) has part bevantolol (CHEBI:238698) (R)-bevantolol (CHEBI:59184) is a bevantolol (CHEBI:238698) (S)-bevantolol (CHEBI:59185) is a bevantolol (CHEBI:238698)

IUPAC Name

1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-(3-methylphenoxy)propan-2-ol

Synonyms	Sources
(±)-bevantolol	ChEBI
1-((2-(3,4-dimethoxyphenyl)ethyl)amino)-3-(3-methylphenoxy)-2-propanol	ChemIDplus
1-(3,4-dimethoxyphenethylamino)-3-(m-tolyloxy)-2-propanol	ChemIDplus
1-(3,4-dimethoxyphenethylamino)-3-m-tolyloxy-propan-2-ol	ChEBI
1-[2-(3,4-Dimethoxy-phenyl)-ethylamino]-3-m-tolyloxy-propan-2-ol	ChEMBL

Last Modified

22 February 2017