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<compound>
  <id type="integer">338016</id>
  <title nil="true"/>
  <common-name>3-[[4,6-bis(3-carboxy-2-hydroxy-5-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfobenzoic acid</common-name>
  <description>3-[[4,6-bis(3-carboxy-2-hydroxy-5-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfobenzoic acid has the chemical formula C24H18N6O18S3. With an average molecular weight of 774.60 g/mol, 3-[[4,6-bis(3-carboxy-2-hydroxy-5-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfobenzoic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>11979981</pubchem-id>
  <chemical-formula>C24H18N6O18S3</chemical-formula>
  <weight>774.6</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">2026-08-30T21:02:15Z</created-at>
  <updated-at type="dateTime">2026-08-30T21:02:15Z</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>C1=C(C=C(C(=C1C(=O)O)O)NC2=NC(=NC(=N2)NC3=CC(=CC(=C3O)C(=O)O)S(=O)(=O)O)NC4=CC(=CC(=C4O)C(=O)O)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C24H18N6O18S3</moldb-formula>
  <moldb-inchi>InChI=1S/C24H18N6O18S3/c31-16-10(19(34)35)1-7(49(40,41)42)4-13(16)25-22-28-23(26-14-5-8(50(43,44)45)2-11(17(14)32)20(36)37)30-24(29-22)27-15-6-9(51(46,47)48)3-12(18(15)33)21(38)39/h1-6,31-33H,(H,34,35)(H,36,37)(H,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H3,25,26,27,28,29,30)</moldb-inchi>
  <moldb-inchikey>YLSMKTQVBIUBLQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">773.9839713</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1</logp>
  <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>CHEM333909</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>3-[[4,6-bis(3-carboxy-2-hydroxy-5-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfobenzoic acid</iupac>
  <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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Benzenesulfonic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0288445</sync-id>
  <structure-inchikey>YLSMKTQVBIUBLQ-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:38:55Z</structure-indexed-at>
</compound>
