<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">85677</id>
  <title nil="true"/>
  <common-name>Disodium 7,7'-(carbonyldiimino)bis[3-[(3-aminophenyl)azo]-4-hydroxynaphthalene-2-sulphonate]</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>80888</pubchem-id>
  <chemical-formula>C33H26N8O9S2</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">2026-04-04T20:45:22Z</created-at>
  <updated-at type="dateTime">2026-04-04T20:45:22Z</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=CC(=CC=C1)N=NC1=C(O)C2=CC=C(NC(=O)NC3=CC4=C(C=C3)C(O)=C(N=NC3=CC=CC(N)=C3)C(=C4)S([O-])(=O)=O)C=C2C=C1S([O-])(=O)=O</moldb-smiles>
  <moldb-formula>C33H26N8O9S2</moldb-formula>
  <moldb-inchi>InChI=1/C33H26N8O9S2.2Na/c34-19-3-1-5-23(15-19)38-40-29-27(51(45,46)47)13-17-11-21(7-9-25(17)31(29)42)36-33(44)37-22-8-10-26-18(12-22)14-28(52(48,49)50)30(32(26)43)41-39-24-6-2-4-20(35)16-24;;/h1-16,42-43H,34-35H2,(H2,36,37,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2</moldb-inchi>
  <moldb-inchikey>UMAIIVFLTQPNJF-UHFFFAOYSA-L</moldb-inchikey>
  <moldb-average-mass type="decimal">786.7</moldb-average-mass>
  <moldb-mono-mass type="decimal">742.1264164</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>CHEM081570</chemdb-id>
  <dsstox-id>DTXSID50889544</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00045850</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>
