<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">13348</id>
  <title nil="true"/>
  <common-name>[1,1'-Bianthracene]-9,9',10,10'-tetrone, 4,4'-diamino-</common-name>
  <description nil="true"/>
  <cas>4051-63-2</cas>
  <pubchem-id>77669</pubchem-id>
  <chemical-formula>C28H16N2O4</chemical-formula>
  <weight>444.4</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">2016-05-19T03:52:12Z</created-at>
  <updated-at type="dateTime">2026-04-17T17:03:31Z</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>NC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(C=C1)C1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(N)C=C1</moldb-smiles>
  <moldb-formula>C28H16N2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C28H16N2O4/c29-19-11-9-13(21-23(19)27(33)17-7-3-1-5-15(17)25(21)31)14-10-12-20(30)24-22(14)26(32)16-6-2-4-8-18(16)28(24)34/h1-12H,29-30H2</moldb-inchi>
  <moldb-inchikey>KNMQFBWXSICVQC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">444.446</moldb-average-mass>
  <moldb-mono-mass type="decimal">444.111007003</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>70070</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>CHEM012243</chemdb-id>
  <dsstox-id>DTXSID2052079</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>REACH</stoff-ident-origin>
  <stoff-ident-id>SI00008020</stoff-ident-id>
  <susdat-id>NS00006254</susdat-id>
  <iupac>4,4'-diamino-9H,9'H,10H,10'H-[1,1'-bianthracene]-9,9',10,10'-tetrone</iupac>
</compound>
