21291 <common-name>Pipothiazine palmitate</common-name> <description nil="true"/> <cas>37517-26-3</cas> <pubchem-id>37767</pubchem-id> <chemical-formula>C40H63N3O4S2</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">2016-05-22T06:53:33Z</created-at> <updated-at type="dateTime">2026-04-03T23:32:13Z</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>CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)S(=O)(=O)N(C)C)CC1</moldb-smiles> <moldb-formula>C40H63N3O4S2</moldb-formula> <moldb-inchi>InChI=1S/C40H63N3O4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-40(44)47-32-27-34-25-30-42(31-26-34)28-19-29-43-36-20-17-18-21-38(36)48-39-24-23-35(33-37(39)43)49(45,46)41(2)3/h17-18,20-21,23-24,33-34H,4-16,19,22,25-32H2,1-3H3</moldb-inchi> <moldb-inchikey>KTOYYUONFQWSMW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">714.08</moldb-average-mass> <moldb-mono-mass type="decimal">713.425999869</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>34634</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>CHEM020186</chemdb-id> <dsstox-id>DTXSID5048970</dsstox-id> <toxcast-id>48970</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00030206</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>70.16</moldb-polar-surface-area> <moldb-refractivity>207.7145</moldb-refractivity> <moldb-polarizability>86.79727484238386</moldb-polarizability> <moldb-rotatable-bond-count>23</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>8.857536226371728</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>8.46</moldb-alogps-logp> <moldb-alogps-logs>-7.43</moldb-alogps-logs> <moldb-alogps-solubility>2.66e-05 g/l</moldb-alogps-solubility> </compound>