1.0 2016-05-22 05:02:38 UTC 2026-08-22 09:03:25 UTC Loperamide SmallMolecule Loperamide is an organic compound with the formula C29H33ClN2O2 and an average molecular weight of 477.04 g/mol. Loperamide belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. It is utilized as a treatment for diarrhea (PMC11824862, PMC12587445). Among its nine recorded protein targets, it acts as an agonist, blocker, inhibitor, or modulator of the Mu-type opioid receptor (OPRM1), Delta-type opioid receptor (OPRD1), Voltage-dependent P/Q-type calcium channel subunit alpha-1A (CACNA1A), and Pro-opiomelanocortin (POMC), along with five other proteins. The compound has been found in or released from 29 recorded sources. These include aquatic systems and sediments such as seawater, freshwater, groundwater, and surface water, as well as drinking water and water supply sources including bottled, tap, desalinated, and drinking water. It is also present in wastewater, sanitation, and biosolids, including mine wastewater, industrial wastewater, wastewater treatment effluent, and unspecified wastewater. Additionally, it is found in household cleaning and consumer products such as perfumes within detergents and soaps, soap detergents, cigar cigarettes, non-electric simulated smoking devices, and other smoking requisites. Other sources include appliances and HVAC/refrigerants like water heaters and water coolers, as well as electrical and electronic equipment including fixed capacitors and their manufacture, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials. Six more sectors have been recorded. Recorded exposure routes for loperamide include touch, oral, and inhalation. Human Neurotoxin PMT loperamid C29H33ClN2O2 477.038 476.223056017 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide imodium 53179-11-6 CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1 InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3 RDOIQAHITMMDAJ-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Diphenylmethanes Diphenylmethanes Amino acids and derivatives Aralkylamines Aryl chlorides Azacyclic compounds Carbonyl compounds Chlorobenzenes Hydrocarbon derivatives N-acyl amines Organic oxides Organochlorides Organopnictogen compounds Phenylacetamides Phenylpiperidines Tertiary alcohols Tertiary carboxylic acid amides Trialkylamines Alcohol Amine Amino acid or derivatives Aralkylamine Aromatic heteromonocyclic compound Aryl chloride Aryl halide Azacycle Carbonyl group Carboxamide group Carboxylic acid derivative Chlorobenzene Diphenylmethane Halobenzene Hydrocarbon derivative N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylacetamide Phenylpiperidine Piperidine Tertiary alcohol Tertiary aliphatic amine Tertiary amine Tertiary carboxylic acid amide Aromatic heteromonocyclic compounds monocarboxylic acid amide monochlorobenzenes piperidines tertiary alcohol Detected and Not Quantified Loperamide Action Pathway SMP0125189 Loperamide Metabolism SMP0125326 Loperamide Drug Metabolism Action Pathway SMP0143274 logp 4.77 logp 4.44 ALOGPS logs -5.74 ALOGPS solubility 8.60e-04 g/l ALOGPS logp 4.77 ChemAxon pka_strongest_acidic 13.96 ChemAxon pka_strongest_basic 9.41 ChemAxon iupac 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide ChemAxon average_mass 477.038 ChemAxon mono_mass 476.223056017 ChemAxon smiles CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1 ChemAxon formula C29H33ClN2O2 ChemAxon inchi InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3 ChemAxon inchikey RDOIQAHITMMDAJ-UHFFFAOYSA-N ChemAxon polar_surface_area 43.78 ChemAxon refractivity 139.32 ChemAxon polarizability 52.59 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bae99e440> DB00836 3955 3818 BE0000356 BE0000770 BE0000947 BE0000420 BE0000632 BE0000090 BE0012563 BE0008705 BE0008706