<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">87628</id>
  <title nil="true"/>
  <common-name>Disodium 5-[[4'-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo][1,1'-biphenyl]-4-yl]azo]salicylate</common-name>
  <description nil="true"/>
  <cas>2429-82-5</cas>
  <pubchem-id>17068</pubchem-id>
  <chemical-formula>C29H21N5O7S</chemical-formula>
  <weight>627.5</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">2026-04-04T22:19:37Z</created-at>
  <updated-at type="dateTime">2026-04-17T16:11:34Z</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+].NC1=CC2=C(O)C(N=NC3=CC=C(C=C3)C3=CC=C(C=C3)N=NC3=CC(C([O-])=O)=C(O)C=C3)=C(C=C2C=C1)S([O-])(=O)=O</moldb-smiles>
  <moldb-formula>C29H21N5O7S</moldb-formula>
  <moldb-inchi>InChI=1/C29H21N5O7S.2Na/c30-19-6-1-18-13-26(42(39,40)41)27(28(36)23(18)14-19)34-32-21-9-4-17(5-10-21)16-2-7-20(8-3-16)31-33-22-11-12-25(35)24(15-22)29(37)38;;/h1-15,35-36H,30H2,(H,37,38)(H,39,40,41);;/q;2*+1/p-2</moldb-inchi>
  <moldb-inchikey>CXAVOCVLMJULES-UHFFFAOYSA-L</moldb-inchikey>
  <moldb-average-mass type="decimal">627.54</moldb-average-mass>
  <moldb-mono-mass type="decimal">583.116169</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>CHEM083521</chemdb-id>
  <dsstox-id>DTXSID6025199</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00048236</susdat-id>
  <iupac nil="true"/>
</compound>
