21078 <common-name>Oxypertine hydrochloride</common-name> <description nil="true"/> <cas>17506-66-0</cas> <pubchem-id nil="true"/> <chemical-formula>C23H30ClN3O2</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">2016-05-22T06:40:04Z</created-at> <updated-at type="dateTime">2026-04-05T23:09:45Z</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.COC1=C(OC)C=C2C(NC(C)=C2CCN2CCN(CC2)C2=CC=CC=C2)=C1</moldb-smiles> <moldb-formula>C23H30ClN3O2</moldb-formula> <moldb-inchi>InChI=1S/C23H29N3O2.ClH/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18;/h4-8,15-16,24H,9-14H2,1-3H3;1H</moldb-inchi> <moldb-inchikey>USAPVNXIZYFWLO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">415.96</moldb-average-mass> <moldb-mono-mass type="decimal">415.2026549</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>CHEM019973</chemdb-id> <dsstox-id>DTXSID6048751</dsstox-id> <toxcast-id>48751</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00089643</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>40.730000000000004</moldb-polar-surface-area> <moldb-refractivity>115.0669</moldb-refractivity> <moldb-polarizability>44.73579748448526</moldb-polarizability> <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>17.50787662936742</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>8.507515473642622</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>4.34</moldb-alogps-logp> <moldb-alogps-logs>-4.04</moldb-alogps-logs> <moldb-alogps-solubility>3.49e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Diazinanes</klass> <subklass>Piperazines</subklass> <paper-count type="integer" nil="true"/> </compound>