Esmolol hydrochlorideProduct ingredient for Esmolol

Name
Esmolol hydrochloride
Drug Entry
Esmolol

Esmolol, commonly marketed under the trade name Brevibloc, is a cardioselective beta-1 receptor blocker. It has a rapid onset but short duration of action without causing significant intrinsic sympathomimetic or membrane stabilizing activities at recommended therapeutic doses. It works by blocking beta-adrenergic receptors in the heart, which leads to decreased force and rate of heart contractions. Esmolol prevents the action of two naturally occurring substances: epinephrine and norepinephrine.

Accession Number
DBSALT000586
Structure
Synonyms
(±)-esmolol hydrochloride / (±)-methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate hydrochloride / 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoic acid methyl ester HCl / 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoic acid methyl ester hydrochloride / Esmolol HCl / methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate hydrochloride / methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate hydrochloride
UNII
V05260LC8D
CAS Number
81161-17-3
Weight
Average: 331.835
Monoisotopic: 331.155036032
Chemical Formula
C16H26ClNO4
InChI Key
GEKNCWBANDDJJL-UHFFFAOYSA-N
InChI
InChI=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
IUPAC Name
methyl 3-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)propanoate hydrochloride
SMILES
Cl.COC(=O)CCC1=CC=C(OCC(O)CNC(C)C)C=C1
KEGG Drug
D00644
PubChem Compound
104769
ChemSpider
94577
ChEBI
4857
ChEMBL
CHEMBL1201115
Wikipedia
Esmolol
Predicted Properties
PropertyValueSource
Water Solubility0.144 mg/mLALOGPS
logP2.02ALOGPS
logP1.82ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)14.09ChemAxon
pKa (Strongest Basic)9.67ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area67.79 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity81.05 m3·mol-1ChemAxon
Polarizability33.91 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon