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CHEBI:59185 - (S)-bevantolol

Default Structure
ChEBI IDCHEBI:59185
ChEBI Name(S)-bevantolol
Stars
ASCII Name(S)-bevantolol
DefinitionThe (S)-enantiomer of bevantolol.
Last Modified24 August 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H27NO4
Net Charge0
Average Mass345.439
Monoisotopic Mass345.19401
SMILESCOc1ccc(CCNC[C@H](O)COc2cccc(C)c2)cc1OC
InChIInChI=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/t17-/m0/s1
InChIKeyHXLAFSUPPDYFEO-KRWDZBQOSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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.
beta-adrenergic antagonist  An agent that binds to but does not activate β-adrenergic receptors thereby blocking the actions of endogenous or exogenous β-adrenergic agonists. β-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety.
Applications:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
beta-adrenergic antagonist  An agent that binds to but does not activate β-adrenergic receptors thereby blocking the actions of endogenous or exogenous β-adrenergic agonists. β-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety.
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 Relation(s)
(S)-bevantolol (CHEBI:59185) is a bevantolol (CHEBI:238698)
(S)-bevantolol (CHEBI:59185) is enantiomer of (R)-bevantolol (CHEBI:59184)
Incoming Relation(s)
(R)-bevantolol (CHEBI:59184) is enantiomer of (S)-bevantolol (CHEBI:59185)
IUPAC Name 
(2S)-1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-(3-methylphenoxy)propan-2-ol
Synonyms  Source
(S)-1-((2-(3,4-dimethoxyphenyl)ethyl)amino)-3-(3-methylphenoxy)-2-propanolChEBI
(S)-1-[2-(3,4-dimethoxy-phenyl)-ethylamino]-3-m-tolyloxy-propan-2-olChEBI
(S)-1-(3,4-dimethoxyphenethylamino)-3-(m-tolyloxy)-2-propanolChEBI
(S)-1-(3,4-dimethoxyphenethylamino)-3-m-tolyloxy-propan-2-olChEBI