<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">10775</id>
  <title nil="true"/>
  <common-name>C.I. Pigment Red 169</common-name>
  <description nil="true"/>
  <cas>12237-63-7</cas>
  <pubchem-id>92043222</pubchem-id>
  <chemical-formula>C66H70CuFeN10O6</chemical-formula>
  <weight>1218.7</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">2016-05-19T03:09:08Z</created-at>
  <updated-at type="dateTime">2026-04-16T22:31:45Z</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>[Fe++].[Cu++].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.CCOC(=O)C1=CC=CC=C1C1=C2C=CC(=CC2=[O+]C2=C1C=CC(=C2)N(CC)CC)N(CC)CC.CCOC(=O)C1=CC=CC=C1C1=C2C=CC(=CC2=[O+]C2=C1C=CC(=C2)N(CC)CC)N(CC)CC</moldb-smiles>
  <moldb-formula>C66H70CuFeN10O6</moldb-formula>
  <moldb-inchi>InChI=1S/2C30H35N2O3.6CN.Cu.Fe/c2*1-6-31(7-2)21-15-17-25-27(19-21)35-28-20-22(32(8-3)9-4)16-18-26(28)29(25)23-13-11-12-14-24(23)30(33)34-10-5;6*1-2;;/h2*11-20H,6-10H2,1-5H3;;;;;;;;/q2*+1;6*-1;2*+2</moldb-inchi>
  <moldb-inchikey>YTQPEJDAMFFAES-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1218.741</moldb-average-mass>
  <moldb-mono-mass type="decimal">1217.412514</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>25948519</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>CHEM009670</chemdb-id>
  <dsstox-id>DTXSID5093975</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00019939</susdat-id>
  <iupac>copper(2+) ion λ²-iron(2+) ion bis(3,6-bis(diethylamino)-9-[2-(ethoxycarbonyl)phenyl]-10λ⁴-xanthen-10-ylium) hexakis(iminomethanide)</iupac>
</compound>
