1.0 2016-05-25 18:29:55 UTC 2026-08-24 18:01:22 UTC Methacholine SmallMolecule Methacholine is an organic compound with the chemical formula C8H18NO2 and an average molecular weight of 160.23 g/mol. Methacholine belongs to the quaternary ammonium salts, a subclass of organonitrogen compounds within the organic compounds. This compound is associated with nine recorded sources, including electrical and electronic equipment such as electrodes, conductive bodies characterized by conductive materials, and electrically stimulated smoking devices. It is also found in household cleaning and consumer products, specifically pipe accessories, tobacco smoke filters, and non-electric simulated smoking devices. Additionally, it is identified in food preservation within food, food processing and cookware, in indoor air via air, dust and atmospheric transport, and as unclassified diagnostic agents within healthcare, pharmaceuticals and veterinary products. The recorded routes of exposure for methacholine are respiratory and inhalation. In terms of biological activity, methacholine interacts with five recorded protein targets. It acts as an agonist for the muscarinic acetylcholine receptors M1 (CHRM1), M2 (CHRM2), M3 (CHRM3), and M4 (CHRM4), as well as one other protein. C8H18NO2 160.234 160.133753825 [2-(acetyloxy)propyl]trimethylazanium methacholine 55-92-5 CC(C[N+](C)(C)C)OC(C)=O InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1 NZWOPGCLSHLLPA-UHFFFAOYSA-N Organic compounds Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts Tetraalkylammonium salts Amines Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic cations Organic oxides Organic salts Organopnictogen compounds Aliphatic acyclic compound Amine Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic cation Organic oxide Organic oxygen compound Organic salt Organooxygen compound Organopnictogen compound Tetraalkylammonium salt Aliphatic acyclic compounds acetate ester quaternary ammonium ion Detected and Not Quantified Methacholine M3 Bronchoconstriction Action Pathway SMP0126365 Methacholine M2 Bronchoconstriction Action Pathway SMP0126683 Methacholine Drug Metabolism SMP0130734 Methacholine Drug Metabolism Action Pathway SMP0144082 logp -3.8 logp -2.66 ALOGPS logs -3.46 ALOGPS solubility 6.78e-02 g/l ALOGPS logp -3.8 ChemAxon pka_strongest_basic -7 ChemAxon iupac [2-(acetyloxy)propyl]trimethylazanium ChemAxon average_mass 160.234 ChemAxon mono_mass 160.133753825 ChemAxon smiles CC(C[N+](C)(C)C)OC(C)=O ChemAxon formula C8H18NO2 ChemAxon inchi InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1 ChemAxon inchikey NZWOPGCLSHLLPA-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 55.76 ChemAxon polarizability 18.43 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 1 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bafe694d8> DB06709 1993 1916 BE0000045 BE0000560 BE0000092 BE0000405 BE0000247