<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">16255</id>
  <title nil="true"/>
  <common-name>C.I. Solvent Black 7</common-name>
  <description nil="true"/>
  <cas>8005-02-5</cas>
  <pubchem-id>168010037</pubchem-id>
  <chemical-formula>C29H24N6</chemical-formula>
  <weight>2253.0</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">2016-05-19T04:44:31Z</created-at>
  <updated-at type="dateTime">2026-04-17T19:16:02Z</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(C)NC2=CC=CC3=C(C=CC(N1)=C23)\N=N\C1=CC=C(\N=N\C2=CC=CC=C2)C2=CC=CC=C12</moldb-smiles>
  <moldb-formula>C29H24N6</moldb-formula>
  <moldb-inchi>InChI=1S/C29H24N6/c1-29(2)30-26-14-8-13-22-25(17-18-27(31-29)28(22)26)35-34-24-16-15-23(20-11-6-7-12-21(20)24)33-32-19-9-4-3-5-10-19/h3-18,30-31H,1-2H3/b33-32+,35-34+</moldb-inchi>
  <moldb-inchikey>YCUVUDODLRLVIC-VPHDGDOJSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">456.553</moldb-average-mass>
  <moldb-mono-mass type="decimal">456.206244797</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>55272</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>CHEM015150</chemdb-id>
  <dsstox-id>DTXSID0052091</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00014094</susdat-id>
  <iupac>2,2-dimethyl-6-[(E)-2-{4-[(E)-2-phenyldiazen-1-yl]naphthalen-1-yl}diazen-1-yl]-2,3-dihydro-1H-perimidine</iupac>
</compound>
