<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">20246</id>
  <title nil="true"/>
  <common-name>Pilsicainide</common-name>
  <description nil="true"/>
  <cas>88069-67-4</cas>
  <pubchem-id>4820</pubchem-id>
  <chemical-formula>C17H24N2O</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">2016-05-22T05:51:14Z</created-at>
  <updated-at type="dateTime">2026-05-14T19:24:55Z</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>DB12712</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>CC1=CC=CC(C)=C1N=C(O)CC12CCCN1CCC2</moldb-smiles>
  <moldb-formula>C17H24N2O</moldb-formula>
  <moldb-inchi>InChI=1S/C17H24N2O/c1-13-6-3-7-14(2)16(13)18-15(20)12-17-8-4-10-19(17)11-5-9-17/h3,6-7H,4-5,8-12H2,1-2H3,(H,18,20)</moldb-inchi>
  <moldb-inchikey>BCQTVJKBTWGHCX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">272.392</moldb-average-mass>
  <moldb-mono-mass type="decimal">272.188863401</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.16</logp>
  <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>CHEM019141</chemdb-id>
  <dsstox-id>DTXSID1046639</dsstox-id>
  <toxcast-id>46639</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00072619</susdat-id>
  <iupac>N-(2,6-dimethylphenyl)-2-(hexahydro-1H-pyrrolizin-7a-yl)acetamide</iupac>
  <moldb-polar-surface-area>35.83</moldb-polar-surface-area>
  <moldb-refractivity>84.5287</moldb-refractivity>
  <moldb-polarizability>30.22230270811402</moldb-polarizability>
  <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>5.002392132724447</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>10.825661066042265</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>2.75</moldb-alogps-logp>
  <moldb-alogps-logs>-3.48</moldb-alogps-logs>
  <moldb-alogps-solubility>9.02e-02 g/l</moldb-alogps-solubility>
</compound>
