<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">94802</id>
  <title nil="true"/>
  <common-name>4,4'-Bis[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo][1,1'-biphenyl]-2,2'-disulphonic acid</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>56842487</pubchem-id>
  <chemical-formula>C32H28N6O10S2</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">2026-04-05T03:01:02Z</created-at>
  <updated-at type="dateTime">2026-04-05T03:01:02Z</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>CC(=O)C(N=NC1=CC(=C(C=C1)C1=C(C=C(C=C1)N=NC(C(C)=O)C(O)=NC1=CC=CC=C1)S(O)(=O)=O)S(O)(=O)=O)C(O)=NC1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C32H28N6O10S2</moldb-formula>
  <moldb-inchi>InChI=1/C32H28N6O10S2/c1-19(39)29(31(41)33-21-9-5-3-6-10-21)37-35-23-13-15-25(27(17-23)49(43,44)45)26-16-14-24(18-28(26)50(46,47)48)36-38-30(20(2)40)32(42)34-22-11-7-4-8-12-22/h3-18,29-30H,1-2H3,(H,33,41)(H,34,42)(H,43,44,45)(H,46,47,48)</moldb-inchi>
  <moldb-inchikey>NHVRARFGUBOUQJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">720.73</moldb-average-mass>
  <moldb-mono-mass type="decimal">720.1308331</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM090695</chemdb-id>
  <dsstox-id>DTXSID20958716</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00056667</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
</compound>
