47034 <common-name>Clozapine, Desmethyl</common-name> <description nil="true"/> <cas>6104-71-8</cas> <pubchem-id>135409468</pubchem-id> <chemical-formula>C17H17ClN4</chemical-formula> <weight>312.8</weight> <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">2016-06-03T13:49:31Z</created-at> <updated-at type="dateTime">2026-08-19T19:27:47Z</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>DB05766</drugbank-id> <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>ClC1=CC=C2NC3=CC=CC=C3C(=NC2=C1)N1CCNCC1</moldb-smiles> <moldb-formula>C17H17ClN4</moldb-formula> <moldb-inchi>InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2</moldb-inchi> <moldb-inchikey>JNNOSTQEZICQQP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">312.797</moldb-average-mass> <moldb-mono-mass type="decimal">312.114174271</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.02</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>14126465</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>CHEM045929</chemdb-id> <dsstox-id>DTXSID0042616</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>NIVA/Waters</stoff-ident-origin> <stoff-ident-id>SI00009236</stoff-ident-id> <susdat-id>NS00010419</susdat-id> <iupac>6-chloro-10-(piperazin-1-yl)-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaene</iupac> <moldb-polar-surface-area>39.660000000000004</moldb-polar-surface-area> <moldb-refractivity>92.06179999999998</moldb-refractivity> <moldb-polarizability>33.579925599963644</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>15.900137390894255</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>8.825952885735783</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>3.25</moldb-alogps-logp> <moldb-alogps-logs>-3.19</moldb-alogps-logs> <moldb-alogps-solubility>2.03e-01 g/l</moldb-alogps-solubility> <kingdom nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> </compound>