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<compound>
  <id type="integer">82150</id>
  <title nil="true"/>
  <common-name>Solasulfone</common-name>
  <description>Solasulfone belongs to the benzenesulfonyl compounds, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the chemical formula C30H32N2O14S5. With an average molecular weight of 892.81 g/mol, Solasulfone is a heavy molecule.</description>
  <cas>118-84-3</cas>
  <pubchem-id>8627</pubchem-id>
  <chemical-formula>C30H32N2O14S5</chemical-formula>
  <weight>804.9</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">2026-04-04T18:45:00Z</created-at>
  <updated-at type="dateTime">2026-08-22T10:13:02Z</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+].[Na+].[Na+].[O-]S(=O)(=O)C(CC(C1=CC=CC=C1)S([O-])(=O)=O)NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NC(CC(C2=CC=CC=C2)S([O-])(=O)=O)S([O-])(=O)=O)C=C1</moldb-smiles>
  <moldb-formula>C30H32N2O14S5</moldb-formula>
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  <moldb-average-mass type="decimal">892.81</moldb-average-mass>
  <moldb-mono-mass type="decimal">804.0457087</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.3</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM078043</chemdb-id>
  <dsstox-id>DTXSID50927894</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00041592</susdat-id>
  <iupac>1-phenyl-3-[4-[4-[(3-phenyl-1,3-disulfopropyl)amino]phenyl]sulfonylanilino]propane-1,3-disulfonic 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>Benzenesulfonyl compounds</subklass>
  <paper-count type="integer">12</paper-count>
  <sync-id>CED0034187</sync-id>
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  <structure-indexed-at type="dateTime">2026-09-19T04:28:26Z</structure-indexed-at>
</compound>
