1.0 2016-05-25 18:18:54 UTC 2026-08-19 17:24:16 UTC Esmolol SmallMolecule Esmolol is an organic compound with the formula C16H25NO4 and an average molecular weight of 295.37 g/mol. Esmolol belongs to the phenol ethers, a class of benzenoids within the organic compounds. In terms of biological activity, it acts as an antagonist of the Beta-1 adrenergic receptor (ADRB1). The compound is found in or released from seven recorded sources. These include healthcare, pharmaceuticals, and veterinary products, where it is used as a beta blocking agent, as well as indoor air and atmospheric transport. Other recorded sources include electrical and electronic equipment, specifically antennas and electrically stimulated smoking devices, and various household cleaning and consumer products, including cigar cigarettes, other smoking requisites, and non electric simulated smoking devices. Recorded exposure routes for esmolol include intravenous administration and inhalation. C16H25NO4 295.374 295.178358293 methyl 3-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)propanoate esmolol 103598-03-4 COC(=O)CCC1=CC=C(OCC(O)CNC(C)C)C=C1 InChI=1S/C16H25NO4/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 AQNDDEOPVVGCPG-UHFFFAOYSA-N Organic compounds Benzenoids Phenol ethers Phenol ethers 1,2-aminoalcohols Alkyl aryl ethers Amino acids and derivatives Carbonyl compounds Dialkylamines Fatty acid esters Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Phenoxy compounds Secondary alcohols 1,2-aminoalcohol Alcohol Alkyl aryl ether Amine Amino acid or derivatives Aromatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Ether Fatty acid ester Fatty acyl Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Secondary alcohol Secondary aliphatic amine Secondary amine Aromatic homomonocyclic compounds aromatic ether ethanolamines methyl ester secondary alcohol secondary amino compound Detected and Not Quantified Esmolol Action Pathway SMP0000301 Esmolol Action Pathway (New) SMP0126202 Esmolol Drug Metabolism Action Pathway SMP0142650 logp 1.82 logp 2.02 ALOGPS logs -3.31 ALOGPS solubility 1.44e-01 g/l ALOGPS logp 1.82 ChemAxon pka_strongest_acidic 14.09 ChemAxon pka_strongest_basic 9.67 ChemAxon iupac methyl 3-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)propanoate ChemAxon average_mass 295.374 ChemAxon mono_mass 295.178358293 ChemAxon smiles COC(=O)CCC1=CC=C(OCC(O)CNC(C)C)C=C1 ChemAxon formula C16H25NO4 ChemAxon inchi InChI=1S/C16H25NO4/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 ChemAxon inchikey AQNDDEOPVVGCPG-UHFFFAOYSA-N ChemAxon polar_surface_area 67.79 ChemAxon refractivity 81.05 ChemAxon polarizability 33.68 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72269523c0> DB00187 59768 53916 BE0000172