19358 <common-name>Zuclopenthixol dihydrochloride</common-name> <description nil="true"/> <cas>58045-23-1</cas> <pubchem-id nil="true"/> <chemical-formula>C22H27Cl3N2OS</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-22T05:05:55Z</created-at> <updated-at type="dateTime">2026-04-05T21:07:39Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>Cl.Cl.[H]\C(CCN1CCN(CCO)CC1)=C1/C2=CC=CC=C2SC2=C1C=C(Cl)C=C2</moldb-smiles> <moldb-formula>C22H27Cl3N2OS</moldb-formula> <moldb-inchi>InChI=1S/C22H25ClN2OS.2ClH/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26;;/h1-2,4-8,16,26H,3,9-15H2;2*1H/b18-5-;;</moldb-inchi> <moldb-inchikey>LPWNZMIBFHMYMX-MHKBYHAFSA-N</moldb-inchikey> <moldb-average-mass type="decimal">473.887</moldb-average-mass> <moldb-mono-mass type="decimal">472.090967307</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM018253</chemdb-id> <dsstox-id>DTXSID5045332</dsstox-id> <toxcast-id>45332</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00086439</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>26.71</moldb-polar-surface-area> <moldb-refractivity>127.00029999999998</moldb-refractivity> <moldb-polarizability>44.57769915409949</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>15.59309817131956</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>8.427567970053593</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>4.46</moldb-alogps-logp> <moldb-alogps-logs>-5.19</moldb-alogps-logs> <moldb-alogps-solubility>2.60e-03 g/l</moldb-alogps-solubility> </compound>