1.0 2016-05-22 03:48:14 UTC 2026-08-19 23:48:24 UTC Zotepine SmallMolecule Zotepine is an organic compound with the chemical formula C18H18ClNOS and an average molecular weight of 331.86 g/mol. Zotepine belongs to the dibenzothiepins, a subclass of benzothiepins within the organic compounds. It is further categorized under the superclass of organoheterocyclic compounds. The compound is found in or released from five recorded sources. These include household cleaning and consumer products, specifically tobacco product cases, non electric simulated smoking devices, and tobacco smoke filters. Additionally, it is associated with electrically stimulated smoking devices within the electrical and electronic equipment category, as well as processing meats in the food, food processing and cookware category. In terms of biological activity, zotepine interacts with eight recorded protein targets. It acts as an antagonist and inhibitor of the D(2) dopamine receptor (DRD2), the D(1A) dopamine receptor (DRD1), the D(1B) dopamine receptor (DRD5), and the 5-hydroxytryptamine receptor 2A (HTR2A), in addition to four other proteins. Human Neurotoxin C18H18ClNOS 331.86 331.0797631 [2-({6-chloro-2-thiatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,9,11,13-heptaen-9-yl}oxy)ethyl]dimethylamine compound-4 26615-21-4 CN(C)CCOC1=CC2=CC=CC=C2SC2=CC=C(Cl)C=C12 InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3 HDOZVRUNCMBHFH-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Benzothiepins Dibenzothiepins Dibenzothiepins Aryl chlorides Benzenoids Diarylthioethers Hydrocarbon derivatives Organochlorides Organooxygen compounds Organopnictogen compounds Trialkylamines Amine Aromatic heteropolycyclic compound Aryl chloride Aryl halide Aryl thioether Benzenoid Diarylthioether Dibenzothiepin Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Tertiary aliphatic amine Tertiary amine Thioether Aromatic heteropolycyclic compounds dibenzothiepine tertiary amino compound Detected and Not Quantified Zotepine Drug Metabolism Action Pathway SMP0144375 logp 4.51 logp 4.74 ALOGPS logs -5.63 ALOGPS solubility 7.77e-04 g/l ALOGPS logp 4.51 ChemAxon pka_strongest_basic 8.92 ChemAxon iupac [2-({6-chloro-2-thiatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,9,11,13-heptaen-9-yl}oxy)ethyl]dimethylamine ChemAxon average_mass 331.86 ChemAxon mono_mass 331.0797631 ChemAxon smiles CN(C)CCOC1=CC2=CC=CC=C2SC2=CC=C(Cl)C=C12 ChemAxon formula C18H18ClNOS ChemAxon inchi InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3 ChemAxon inchikey HDOZVRUNCMBHFH-UHFFFAOYSA-N ChemAxon polar_surface_area 12.47 ChemAxon refractivity 97.61 ChemAxon polarizability 36.21 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf09dd7c0> DB09225 5736 5534 BE0000020 BE0000145 BE0000756 BE0000451 BE0000945 BE0000650 BE0000486 BE0000749