22531 <common-name>8-Hydroxy loxapine</common-name> <description nil="true"/> <cas>61443-77-4</cas> <pubchem-id>43655</pubchem-id> <chemical-formula>C18H18ClN3O2</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">2016-05-25T03:30:39Z</created-at> <updated-at type="dateTime">2026-03-27T01:22:12Z</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>CN1CCN(CC1)C1=NC2=C(OC3=C1C=C(Cl)C=C3)C=CC(O)=C2</moldb-smiles> <moldb-formula>C18H18ClN3O2</moldb-formula> <moldb-inchi>InChI=1S/C18H18ClN3O2/c1-21-6-8-22(9-7-21)18-14-10-12(19)2-4-16(14)24-17-5-3-13(23)11-15(17)20-18/h2-5,10-11,23H,6-9H2,1H3</moldb-inchi> <moldb-inchikey>VNJRIWXLPIYFGI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">343.81</moldb-average-mass> <moldb-mono-mass type="decimal">343.1087545</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>39783</chemspider-id> <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>CHEM021426</chemdb-id> <dsstox-id>DTXSID80210387</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>NIVA/Waters</stoff-ident-origin> <stoff-ident-id>SI00009216</stoff-ident-id> <susdat-id>NS00007240</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>48.3</moldb-polar-surface-area> <moldb-refractivity>97.092</moldb-refractivity> <moldb-polarizability>35.73742034583891</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>9.222534680012355</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>7.161312677245811</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>2.69</moldb-alogps-logp> <moldb-alogps-logs>-3.16</moldb-alogps-logs> <moldb-alogps-solubility>2.37e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Benzoxazepines</klass> <subklass>Dibenzoxazepines</subklass> <paper-count type="integer">18</paper-count> <sync-id>CED0022531</sync-id> </compound>