<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">46983</id>
  <title nil="true"/>
  <common-name>Ketobemidon</common-name>
  <description nil="true"/>
  <cas>469-79-4</cas>
  <pubchem-id>10101</pubchem-id>
  <chemical-formula>C15H21NO2</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">2016-06-03T13:46:56Z</created-at>
  <updated-at type="dateTime">2026-04-14T16:22:11Z</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>DB06738</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>CCC(=O)C1(CCN(C)CC1)C1=CC(O)=CC=C1</moldb-smiles>
  <moldb-formula>C15H21NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3</moldb-inchi>
  <moldb-inchikey>ALFGKMXHOUSVAD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">247.3327</moldb-average-mass>
  <moldb-mono-mass type="decimal">247.157228921</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>9697</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>CHEM045878</chemdb-id>
  <dsstox-id>DTXSID00196977</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>NIVA/Waters</stoff-ident-origin>
  <stoff-ident-id>SI00009171</stoff-ident-id>
  <susdat-id>NS00006881</susdat-id>
  <iupac>1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one</iupac>
</compound>
