<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">84920</id>
  <title nil="true"/>
  <common-name>Disodium 4,4'-bis[[6-anilino-1,4-dihydro-4-oxo-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate</common-name>
  <description>Disodium 4,4'-bis[[6-anilino-1,4-dihydro-4-oxo-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate belongs to the sulfonated stilbenes, a subclass of stilbenes within the organic compounds. It is further classified under the superclass of phenylpropanoids and polyketides. With an average molecular weight of 786.71 g/mol, Disodium 4,4'-bis[[6-anilino-1,4-dihydro-4-oxo-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate is a heavy molecule with the formula C32H26N10O8S2.</description>
  <cas nil="true"/>
  <pubchem-id nil="true"/>
  <chemical-formula>C32H26N10O8S2</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">2026-04-04T20:12:35Z</created-at>
  <updated-at type="dateTime">2026-04-04T20:12:35Z</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+].[O-]S(=O)(=O)C1=CC(NC2=NC(=O)N=C(NC3=CC=CC=C3)N2)=CC=C1C=CC1=CC=C(NC2=NC(=O)N=C(NC3=CC=CC=C3)N2)C=C1S([O-])(=O)=O</moldb-smiles>
  <moldb-formula>C32H26N10O8S2</moldb-formula>
  <moldb-inchi>InChI=1/C32H26N10O8S2.2Na/c43-31-39-27(33-21-7-3-1-4-8-21)37-29(41-31)35-23-15-13-19(25(17-23)51(45,46)47)11-12-20-14-16-24(18-26(20)52(48,49)50)36-30-38-28(40-32(44)42-30)34-22-9-5-2-6-10-22;;/h1-18H,(H,45,46,47)(H,48,49,50)(H3,33,35,37,39,41,43)(H3,34,36,38,40,42,44);;/q;2*+1/p-2</moldb-inchi>
  <moldb-inchikey>YUZILKLGVPUFOT-YHPRVSEPSA-L</moldb-inchikey>
  <moldb-average-mass type="decimal">786.71</moldb-average-mass>
  <moldb-mono-mass type="decimal">742.1376498</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>CHEM080813</chemdb-id>
  <dsstox-id>DTXSID70889445</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00044946</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"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Phenylpropanoids and polyketides</superklass>
  <klass>Stilbenes</klass>
  <subklass>Sulfonated stilbenes</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0158580</sync-id>
  <structure-inchikey>YUZILKLGVPUFOT-UHFFFAOYSA-L</structure-inchikey>
  <structure-fingerprint>80000000000010000000000000000000000000000002000400002000000a004800000000000000000000000100000000800000004000000000000000000000020000000000201001002000000000000000000000000101010000000100000000000000000000040000000000000000000000000000020804000200000000080000000000100040000000000080800000000040000000000000000080000000000000000000000080000000000080000000000000000000080000000000000000000000000000000004200000000000000000000000001000040000000000000000000000000000402020000000000</structure-fingerprint>
  <structure-pattern-fingerprint>7114c0008d33c670c1c45be081f8a2809a0014928115a070a53d20d08234ea5c6c420050139000480500492840c0200014600b26408d7225096cf53980a24010c7110ca11a803403009012401af202000804c58051211fb750145c6254224a05ac38452f084c1220400c0480dddc004c70c690720101c506f1980c4503711206184118080efc820a0c170250482c0288391f98124d469e8a532308206442468441f3109700b0c23008040d68017c35144ac0044289410ac010102ab0ccc00212a18110e554d913325d808482571142990c410010036071428d6152882c2003049038c53458810b28134e0411d91220822050043090c6040ed30990005a080602</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������6���9���€�� 
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  <structure-indexed-at type="dateTime">2026-09-19T04:29:54Z</structure-indexed-at>
</compound>
