<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">88343</id>
  <title nil="true"/>
  <common-name>Disodium 8-(4-methylphenylamino)-5-(4-(3-sulphonatophenylazo)-1-naphthylazo)naphthalenesulphonate</common-name>
  <description nil="true"/>
  <cas>3529-01-9</cas>
  <pubchem-id>72586</pubchem-id>
  <chemical-formula>C33H25N5O6S2</chemical-formula>
  <weight>695.7</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">2026-04-04T22:47:00Z</created-at>
  <updated-at type="dateTime">2026-04-17T16:54:42Z</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=C(NC2=CC=C(N=NC3=CC=C(N=NC4=CC=CC(=C4)S([O-])(=O)=O)C4=C3C=CC=C4)C3=C2C(=CC=C3)S([O-])(=O)=O)C=C1</moldb-smiles>
  <moldb-formula>C33H25N5O6S2</moldb-formula>
  <moldb-inchi>InChI=1/C33H25N5O6S2.2Na/c1-21-12-14-22(15-13-21)34-31-19-18-30(27-10-5-11-32(33(27)31)46(42,43)44)38-37-29-17-16-28(25-8-2-3-9-26(25)29)36-35-23-6-4-7-24(20-23)45(39,40)41;;/h2-20,34H,1H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2</moldb-inchi>
  <moldb-inchikey>BMYUQZABARGLAD-UHFFFAOYSA-L</moldb-inchikey>
  <moldb-average-mass type="decimal">695.68</moldb-average-mass>
  <moldb-mono-mass type="decimal">651.1246255</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>CHEM084236</chemdb-id>
  <dsstox-id>DTXSID7044924</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00049061</susdat-id>
  <iupac nil="true"/>
</compound>
