<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">20321</id>
  <title nil="true"/>
  <common-name>Piroctone olamine</common-name>
  <description nil="true"/>
  <cas>68890-66-4</cas>
  <pubchem-id>60196297</pubchem-id>
  <chemical-formula>C17H32N2O3</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">2016-05-22T05:55:35Z</created-at>
  <updated-at type="dateTime">2026-04-05T15:51:31Z</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>NCCCO.CC(CC1=CC(C)=CC(=O)N1O)CC(C)(C)C</moldb-smiles>
  <moldb-formula>C17H32N2O3</moldb-formula>
  <moldb-inchi>InChI=1S/C14H23NO2.C3H9NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;4-2-1-3-5/h6,8,11,17H,7,9H2,1-5H3;5H,1-4H2</moldb-inchi>
  <moldb-inchikey>UVVPSBVBVDDOSR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">312.454</moldb-average-mass>
  <moldb-mono-mass type="decimal">312.241292898</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>29405140</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>CHEM019216</chemdb-id>
  <dsstox-id>DTXSID4046735</dsstox-id>
  <toxcast-id>46735</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00076016</susdat-id>
  <iupac>1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-1,2-dihydropyridin-2-one; 3-aminopropan-1-ol</iupac>
</compound>
