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<compound>
  <id type="integer">341104</id>
  <title nil="true"/>
  <common-name>6-amino-4-hydroxy-5-[[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]diazenyl]naphthalene-2-sulfonic acid</common-name>
  <description>6-amino-4-hydroxy-5-[[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]diazenyl]naphthalene-2-sulfonic acid is a chemical compound with the formula C25H18N4O6S. With an average molecular weight of 502.50 g/mol, 6-amino-4-hydroxy-5-[[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]diazenyl]naphthalene-2-sulfonic acid is a heavy molecule.</description>
  <cas>73287-59-9</cas>
  <pubchem-id>3020306</pubchem-id>
  <chemical-formula>C25H18N4O6S</chemical-formula>
  <weight>502.5</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">2026-08-31T01:14:06Z</created-at>
  <updated-at type="dateTime">2026-08-31T01:14:06Z</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>CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)N=NC4=C(C=CC5=CC(=CC(=C54)O)S(=O)(=O)O)N</moldb-smiles>
  <moldb-formula>C25H18N4O6S</moldb-formula>
  <moldb-inchi>InChI=1S/C25H18N4O6S/c1-13-2-6-16(7-3-13)29-24(31)18-8-5-15(11-19(18)25(29)32)27-28-23-20(26)9-4-14-10-17(36(33,34)35)12-21(30)22(14)23/h2-12,30H,26H2,1H3,(H,33,34,35)</moldb-inchi>
  <moldb-inchikey>IUPXFWTVRRRBMC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">502.0947055</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.6</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>CHEM336997</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>6-amino-4-hydroxy-5-[[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]diazenyl]naphthalene-2-sulfonic 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>Naphthalenes</klass>
  <subklass>Naphthalene sulfonic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0291502</sync-id>
  <structure-inchikey>IUPXFWTVRRRBMC-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:41:09Z</structure-indexed-at>
</compound>
