1.0 2016-05-22 03:37:56 UTC 2026-08-21 21:23:56 UTC Bisacodyl SmallMolecule Bisacodyl is an organic compound with the chemical formula C22H19NO4 and an average molecular weight of 361.39 g/mol. Bisacodyl belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. The compound is found in or released from 42 recorded sources. Within healthcare, pharmaceuticals, and veterinary products, it is used as a drug for constipation. Other recorded sources include building and construction materials such as tents or canopies, ladders, roofs, fencing, and stairs and ramps. It is associated with food, food processing, and cookware, specifically in the preparation of vinegar, food preservation, processing meats, and fermentation processes for beer. Additionally, it is found in household items like watch chains and badges, as well as household cleaning and consumer products including ash trays, other smoking requisites, devices for igniting matches, non electric simulated smoking devices, and cigar cigarettes. It is also released from electrical and electronic equipment, including antennas, amplifiers, adjustable resistors, auxiliary devices, and conductors or conductive bodies characterised by the conductive materials, among 17 other sources. Recorded exposure routes for the compound include oral, rectal, and topical. Bisacodyl interacts with nine recorded protein targets. It acts as an inhibitor or negative modulator of Aquaporin-3 (AQP3), Sodium/potassium-transporting ATPase subunit alpha-1 (ATP1A1), Sodium/potassium-transporting ATPase subunit beta-1 (ATP1B1), and Sodium/potassium-transporting ATPase subunit alpha-3 (ATP1A3), along with five other proteins. C22H19NO4 361.3906 361.131408101 4-{[4-(acetyloxy)phenyl](pyridin-2-yl)methyl}phenyl acetate bicol 603-50-9 CC(=O)OC1=CC=C(C=C1)C(C1=CC=C(OC(C)=O)C=C1)C1=CC=CC=N1 InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3 KHOITXIGCFIULA-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Diphenylmethanes Diphenylmethanes Azacyclic compounds Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Phenol esters Phenoxy compounds Pyridines and derivatives Aromatic heteromonocyclic compound Azacycle Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Diphenylmethane Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ester Phenoxy compound Pyridine Aromatic heteromonocyclic compounds Detected and Not Quantified Bisacodyl Drug Metabolism Action Pathway SMP0144256 logp 3.61 logp 4.71 ALOGPS logs -5.46 ALOGPS solubility 1.27e-03 g/l ALOGPS logp 3.61 ChemAxon pka_strongest_basic 4.08 ChemAxon iupac 4-{[4-(acetyloxy)phenyl](pyridin-2-yl)methyl}phenyl acetate ChemAxon average_mass 361.3906 ChemAxon mono_mass 361.131408101 ChemAxon smiles CC(=O)OC1=CC=C(C=C1)C(C1=CC=C(OC(C)=O)C=C1)C1=CC=CC=N1 ChemAxon formula C22H19NO4 ChemAxon inchi InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3 ChemAxon inchikey KHOITXIGCFIULA-UHFFFAOYSA-N ChemAxon polar_surface_area 65.49 ChemAxon refractivity 100.15 ChemAxon polarizability 38.48 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7278eb0c98> DB09020 2391 2299 BE0009664 BE0000732 BE0004994 BE0005047 BE0005018 BE0005034 BE0005026 BE0000229 BE0005031