<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">98943</id>
  <title nil="true"/>
  <common-name>Disodium 5-(benzoylamino)-4-hydroxy-3-[[2-(2-methylphenoxy)phenyl]azo]naphthalene-2,7-disulphonate</common-name>
  <description nil="true"/>
  <cas>70210-37-6</cas>
  <pubchem-id>166127</pubchem-id>
  <chemical-formula>C30H23N3O9S2</chemical-formula>
  <weight>677.6</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">2026-04-05T06:31:48Z</created-at>
  <updated-at type="dateTime">2026-04-17T18:45:59Z</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+].CC1=CC=CC=C1OC1=CC=CC=C1N=NC1=C(C=C2C=C(C=C(NC(=O)C3=CC=CC=C3)C2=C1O)S([O-])(=O)=O)S([O-])(=O)=O</moldb-smiles>
  <moldb-formula>C30H23N3O9S2</moldb-formula>
  <moldb-inchi>InChI=1/C30H23N3O9S2.2Na/c1-18-9-5-7-13-24(18)42-25-14-8-6-12-22(25)32-33-28-26(44(39,40)41)16-20-15-21(43(36,37)38)17-23(27(20)29(28)34)31-30(35)19-10-3-2-4-11-19;;/h2-17,34H,1H3,(H,31,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2</moldb-inchi>
  <moldb-inchikey>UZSOSPUHRLUDJW-UHFFFAOYSA-L</moldb-inchikey>
  <moldb-average-mass type="decimal">677.61</moldb-average-mass>
  <moldb-mono-mass type="decimal">633.0875713</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>CHEM094836</chemdb-id>
  <dsstox-id>DTXSID80890062</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00061614</susdat-id>
  <iupac nil="true"/>
</compound>
