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CHEBI:4857 - esmolol hydrochloride

ChEBI IDCHEBI:4857
ChEBI Nameesmolol hydrochloride
Stars
DefinitionThe hydrochloride salt of esmolol. A cardioselective and short-acting β1 receptor blocker with rapid onset but lacking intrinsic sympathomimetic and membrane-stabilising properties, it is used in the management of supraventricular arrhythmias, and for the control of hypertension and tachycardia during surgery.
Last Modified17 August 2010
DownloadsMolfile
FormulaC16H26NO4.Cl
Net Charge0
Average Mass331.840
Monoisotopic Mass331.15504
SMILESCOC(=O)CCc1ccc(OCC(O)C[NH2+]C(C)C)cc1.[Cl-]
InChIInChI=1S/C16H25NO4.ClH/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3;/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3;1H
InChIKeyGEKNCWBANDDJJL-UHFFFAOYSA-N
Roles Classification
Biological Role:
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:
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.
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.
ChEBI Ontology
Outgoing Relation(s)
esmolol hydrochloride (CHEBI:4857) has part esmolol (CHEBI:4856)
esmolol hydrochloride (CHEBI:4857) has role anti-arrhythmia drug (CHEBI:38070)
esmolol hydrochloride (CHEBI:4857) has role β-adrenergic antagonist (CHEBI:35530)
esmolol hydrochloride (CHEBI:4857) is a hydrochloride (CHEBI:36807)
IUPAC Name 
2-hydroxy-3-[4-(3-methoxy-3-oxopropyl)phenoxy]-N-(propan-2-yl)propan-1-aminium chloride
Synonyms  Source
(±)-esmolol hydrochlorideChEBI
methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate hydrochlorideIUPAC
esmolol HClChemIDplus
(±)-methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate hydrochlorideChemIDplus
methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate hydrochlorideChEBI
4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoic acid methyl ester HClChemIDplus
Manual XrefsDatabases
D00644KEGG DRUG
DB00187DrugBank
Registry NumbersSources
Beilstein:5185568Beilstein
CAS:81161-17-3KEGG DRUG
CAS:81161-17-3ChemIDplus
Citations