<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">86096</id>
  <title nil="true"/>
  <common-name>Disodium 8-(phenylamino)-5-[[4-[(5-sulphonatonaphthyl)azo]naphthyl]azo]naphthalenesulphonate</common-name>
  <description nil="true"/>
  <cas>3071-73-6</cas>
  <pubchem-id>18307</pubchem-id>
  <chemical-formula>C36H25N5O6S2</chemical-formula>
  <weight>731.7</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">2026-04-04T21:13:20Z</created-at>
  <updated-at type="dateTime">2026-04-17T16:45:11Z</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>[Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC2=C1C=CC=C2N=NC1=CC=C(N=NC2=CC=C(NC3=CC=CC=C3)C3=C2C=CC=C3S([O-])(=O)=O)C2=C1C=CC=C2</moldb-smiles>
  <moldb-formula>C36H25N5O6S2</moldb-formula>
  <moldb-inchi>InChI=1/C36H25N5O6S2.2Na/c42-48(43,44)34-17-7-13-26-27(34)14-6-16-29(26)38-39-30-19-20-31(25-12-5-4-11-24(25)30)40-41-32-21-22-33(37-23-9-2-1-3-10-23)36-28(32)15-8-18-35(36)49(45,46)47;;/h1-22,37H,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2</moldb-inchi>
  <moldb-inchikey>OLPWJTQWWFWEFS-UHFFFAOYSA-L</moldb-inchikey>
  <moldb-average-mass type="decimal">731.71</moldb-average-mass>
  <moldb-mono-mass type="decimal">687.1246255</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>CHEM081989</chemdb-id>
  <dsstox-id>DTXSID10889368</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00046360</susdat-id>
  <iupac nil="true"/>
</compound>
