1.0 2016-05-25 18:25:52 UTC 2026-08-20 01:19:40 UTC Acebutolol SmallMolecule Acebutolol is an organic compound with the chemical formula C18H28N2O4 and an average molecular weight of 336.43 g/mol. Acebutolol belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. In terms of protein targets, the compound acts as a partial agonist of the Beta-1 adrenergic receptor (ADRB1) and the Beta-2 adrenergic receptor (ADRB2). The compound is associated with 13 recorded sources. Within healthcare, pharmaceuticals, and veterinary products, it is utilized as a beta blocking agent. Other recorded sources include drinking water and water supply, specifically drinking water, and food, food processing, and cookware, where it is used in food preservation. It is also found in building and construction materials such as tents or canopies. Additionally, it is released from household cleaning and consumer products, including tobacco smoke filters, perfumes within detergents and soaps, and non electric simulated smoking devices. Further sources are linked to electrical and electronic equipment, including electrodes, hybrid capacitors, antennas, conductors or conductive bodies characterised by the conductive materials, and electrically stimulated smoking devices. The recorded exposure route for this compound is oral. Human Neurotoxin C18H28N2O4 336.4259 336.204907394 N-(3-acetyl-4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butanamide acebutolol 37517-30-9 CCCC(=O)NC1=CC(C(C)=O)=C(OCC(O)CNC(C)C)C=C1 InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23) GOEMGAFJFRBGGG-UHFFFAOYSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Alkyl-phenylketones 1,2-aminoalcohols Acetophenones Alkyl aryl ethers Aryl alkyl ketones Benzoyl derivatives Carboximidic acids Dialkylamines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Phenol ethers Phenoxy compounds Propargyl-type 1,3-dipolar organic compounds Secondary alcohols 1,2-aminoalcohol Acetophenone Alcohol Alkyl aryl ether Alkyl-phenylketone Amine Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Carboximidic acid Carboximidic acid derivative Ether Hydrocarbon derivative Monocyclic benzene moiety Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organonitrogen compound Organopnictogen compound Phenol ether Phenoxy compound Propargyl-type 1,3-dipolar organic compound Secondary alcohol Secondary aliphatic amine Secondary amine Aromatic homomonocyclic compounds aromatic amide ethanolamines ether monocarboxylic acid amide propanolamine secondary amino compound Detected and Not Quantified Acebutolol Action Pathway SMP0000296 Acebutolol Action Pathway SMP0124509 Acebutolol Drug Metabolism Action Pathway SMP0143612 Acebutolol Predicted Metabolism Pathway SMP0174768 logp 1.53 logp 1.43 ALOGPS logs -3.29 ALOGPS solubility 1.72e-01 g/l ALOGPS logp 1.53 ChemAxon pka_strongest_acidic 13.91 ChemAxon pka_strongest_basic 9.57 ChemAxon iupac N-(3-acetyl-4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butanamide ChemAxon average_mass 336.4259 ChemAxon mono_mass 336.204907394 ChemAxon smiles CCCC(=O)NC1=CC(C(C)=O)=C(OCC(O)CNC(C)C)C=C1 ChemAxon formula C18H28N2O4 ChemAxon inchi InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23) ChemAxon inchikey GOEMGAFJFRBGGG-UHFFFAOYSA-N ChemAxon polar_surface_area 87.66 ChemAxon refractivity 94.87 ChemAxon polarizability 38.51 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721fff4248> DB01193 1978 1901 BE0000172 BE0000694