1.0 2016-05-22 03:59:07 UTC 2026-08-22 08:36:21 UTC Oxethazaine SmallMolecule Oxethazaine is an organic compound with the formula C28H41N3O3 and an average molecular weight of 467.65 g/mol. Oxethazaine belongs to the phenethylamines, a subclass of benzene and substituted derivatives within the organic compounds. The compound is found in or released from four recorded sources, including healthcare, pharmaceuticals, and veterinary products specifically as vasoprotectives. It is also associated with household cleaning and consumer products, such as tobacco smoke filters and non-electric simulated smoking devices, as well as electrically stimulated smoking devices. The recorded exposure route for this substance is oral. Regarding its biological activity, oxethazaine has one recorded protein target, where it acts through the inhibition of synthesis of Gastrin (GAST). C28H41N3O3 467.654 467.314792192 2-[(2-hydroxyethyl)({[methyl(2-methyl-1-phenylpropan-2-yl)carbamoyl]methyl})amino]-N-methyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide mucaine 126-27-2 CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)CC1=CC=CC=C1)C(C)(C)CC1=CC=CC=C1 InChI=1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3 FTLDJPRFCGDUFH-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Phenethylamines Amphetamines and derivatives 1,2-aminoalcohols Alpha amino acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Phenylpropanes Primary alcohols Tertiary carboxylic acid amides Trialkylamines 1,2-aminoalcohol Alcohol Alkanolamine Alpha-amino acid or derivatives Amine Amino acid or derivatives Amphetamine or derivatives Aromatic homomonocyclic compound Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylpropane Primary alcohol Tertiary aliphatic amine Tertiary amine Tertiary carboxylic acid amide Aromatic homomonocyclic compounds amino acid amide Detected and Not Quantified Oxetacaine Drug Metabolism Action Pathway SMP0144872 logp 3.16 logp 3.67 ALOGPS logs -4.66 ALOGPS solubility 1.02e-02 g/l ALOGPS logp 3.16 ChemAxon pka_strongest_acidic 15.59 ChemAxon pka_strongest_basic 5.78 ChemAxon iupac 2-[(2-hydroxyethyl)({[methyl(2-methyl-1-phenylpropan-2-yl)carbamoyl]methyl})amino]-N-methyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide ChemAxon average_mass 467.654 ChemAxon mono_mass 467.314792192 ChemAxon smiles CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)CC1=CC=CC=C1)C(C)(C)CC1=CC=CC=C1 ChemAxon formula C28H41N3O3 ChemAxon inchi InChI=1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3 ChemAxon inchikey FTLDJPRFCGDUFH-UHFFFAOYSA-N ChemAxon polar_surface_area 64.09 ChemAxon refractivity 138.53 ChemAxon polarizability 52.95 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bbfdf9060> DB12532 4621 4460 BE0009548