<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">62897</id>
  <title nil="true"/>
  <common-name>Disperse Red 17</common-name>
  <description nil="true"/>
  <cas>3179-89-3</cas>
  <pubchem-id>4585870</pubchem-id>
  <chemical-formula>C17H20N4O4</chemical-formula>
  <weight>344.4</weight>
  <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">2026-04-02T22:43:34Z</created-at>
  <updated-at type="dateTime">2026-04-17T16:48:01Z</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>CC1=CC(=CC=C1N=NC1=CC=C(C=C1)[N+]([O-])=O)N(CCO)CCO</moldb-smiles>
  <moldb-formula>C17H20N4O4</moldb-formula>
  <moldb-inchi>InChI=1S/C17H20N4O4/c1-13-2-5-16(20(8-10-22)9-11-23)12-17(13)19-18-14-3-6-15(7-4-14)21(24)25/h2-7,12,22-23H,8-11H2,1H3</moldb-inchi>
  <moldb-inchikey>ZGFGZIIGLDISMQ-VHEBQXMUSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">344.371</moldb-average-mass>
  <moldb-mono-mass type="decimal">344.148455</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>17485</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>CHEM058790</chemdb-id>
  <dsstox-id>DTXSID80879791</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00013641</susdat-id>
  <iupac nil="true"/>
</compound>
