<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">100624</id>
  <title nil="true"/>
  <common-name>Disodium 4,4'-bis[[6-anilino-4-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id nil="true"/>
  <chemical-formula>C36H34N10O10S2</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">2026-04-05T07:58:34Z</created-at>
  <updated-at type="dateTime">2026-04-05T07:58:34Z</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+].OCCOC1=NC(NC2=CC=CC=C2)=NC(NC2=CC(=C(C=CC3=C(C=C(NC4=NC(OCCO)=NC(NC5=CC=CC=C5)=N4)C=C3)S([O-])(=O)=O)C=C2)S([O-])(=O)=O)=N1</moldb-smiles>
  <moldb-formula>C36H34N10O10S2</moldb-formula>
  <moldb-inchi>InChI=1/C36H34N10O10S2.2Na/c47-17-19-55-35-43-31(37-25-7-3-1-4-8-25)41-33(45-35)39-27-15-13-23(29(21-27)57(49,50)51)11-12-24-14-16-28(22-30(24)58(52,53)54)40-34-42-32(38-26-9-5-2-6-10-26)44-36(46-34)56-20-18-48;;/h1-16,21-22,47-48H,17-20H2,(H,49,50,51)(H,52,53,54)(H2,37,39,41,43,45)(H2,38,40,42,44,46);;/q;2*+1/p-2</moldb-inchi>
  <moldb-inchikey>BLYMTTICGYPELP-YHPRVSEPSA-L</moldb-inchikey>
  <moldb-average-mass type="decimal">874.81</moldb-average-mass>
  <moldb-mono-mass type="decimal">830.1900793</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>CHEM096517</chemdb-id>
  <dsstox-id>DTXSID90240155</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00063719</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>
