<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">45168</id>
  <title nil="true"/>
  <common-name>4,10-dibromodibenzo[def,mno]chrysene-6,12-dione</common-name>
  <description nil="true"/>
  <cas>4378-61-4</cas>
  <pubchem-id>78084</pubchem-id>
  <chemical-formula>C22H8Br2O2</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">2016-06-03T11:38:48Z</created-at>
  <updated-at type="dateTime">2026-03-27T01:15:08Z</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>BrC1=C2C=CC=C3C(=O)C4=CC(Br)=C5C=CC=C6C(=O)C(=C1)C(=C23)C4=C56</moldb-smiles>
  <moldb-formula>C22H8Br2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C22H8Br2O2/c23-15-7-14-19-17-9(15)3-1-5-11(17)21(25)13-8-16(24)10-4-2-6-12(22(14)26)18(10)20(13)19/h1-8H</moldb-inchi>
  <moldb-inchikey>HTENFZMEHKCNMD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">464.112</moldb-average-mass>
  <moldb-mono-mass type="decimal">461.889105</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>70462</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>CHEM044063</chemdb-id>
  <dsstox-id>DTXSID8044674</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>REACH</stoff-ident-origin>
  <stoff-ident-id>SI00004911</stoff-ident-id>
  <susdat-id>NS00007064</susdat-id>
  <iupac>9,18-dibromohexacyclo[11.7.1.1^{4,20}.0^{2,11}.0^{3,8}.0^{17,21}]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene-12,22-dione</iupac>
</compound>
