1.0 2016-05-25 18:22:55 UTC 2026-08-22 01:30:09 UTC Propantheline SmallMolecule Propantheline is an organic compound with the chemical formula C23H30NO3 and an average molecular weight of 368.49 g/mol. Propantheline belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. In terms of biological activity, it is recorded as an antagonist of the Muscarinic acetylcholine receptor M1 (CHRM1). The compound is found in or released from seven recorded sources across various categories. Within healthcare, pharmaceuticals, and veterinary products, it is used in antispasmodics in combination with psycholeptics and as drugs for functional gastrointestinal disorders. It is also identified in household cleaning and consumer products, specifically within perfumes in detergents and soaps, as well as in cigar cigarettes and other smoking requisites. Additionally, it is associated with electrical and electronic equipment, including electrically stimulated smoking devices and conductors or conductive bodies characterised by the conductive materials. The recorded exposure route for this compound is oral. C23H30NO3 368.4892 368.222568831 methylbis(propan-2-yl)[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium propantheline 298-50-0 CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12)C(C)C InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1 VVWYOYDLCMFIEM-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Xanthenes Amines Benzenoids Carbonyl compounds Carboxylic acid esters Diarylethers Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic cations Organic oxides Organic salts Organopnictogen compounds Oxacyclic compounds Tetraalkylammonium salts Amine Aromatic heteropolycyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Diaryl ether Ether Hydrocarbon derivative Monocarboxylic acid or derivatives Organic cation Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Quaternary ammonium salt Tetraalkylammonium salt Xanthene Aromatic heteropolycyclic compounds xanthenes Detected and Not Quantified Propantheline Action Pathway SMP0126413 Propantheline Drug Metabolism Action Pathway SMP0143222 Propantheline Predicted Metabolism Pathway SMP0174553 logp 0.36 logp 2.66 ALOGPS logs -6.75 ALOGPS solubility 7.22e-05 g/l ALOGPS logp 0.36 ChemAxon pka_strongest_acidic 18.1 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac methylbis(propan-2-yl)[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium ChemAxon average_mass 368.4892 ChemAxon mono_mass 368.222568831 ChemAxon smiles CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12)C(C)C ChemAxon formula C23H30NO3 ChemAxon inchi InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1 ChemAxon inchikey VVWYOYDLCMFIEM-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 119.25 ChemAxon polarizability 40.87 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 1 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7279c5d210> DB00782 4934 4765 BE0000092