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<compound>
  <id type="integer">135983</id>
  <title nil="true"/>
  <common-name>Stibophen</common-name>
  <description>Stibophen belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C12H18Na5O23S4Sb. With an average molecular weight of 895.20 g/mol, Stibophen is a heavy molecule.</description>
  <cas>15489-16-4</cas>
  <pubchem-id>16683008</pubchem-id>
  <chemical-formula>C12H18Na5O23S4Sb</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">2026-04-14T19:20:42Z</created-at>
  <updated-at type="dateTime">2026-05-14T19:31:18Z</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>DB13236</drugbank-id>
  <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>O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Sb+3].[O-]C1=C([O-])C(=CC(=C1)S([O-])(=O)=O)S([O-])(=O)=O.[O-]C1=C([O-])C(=CC(=C1)S([O-])(=O)=O)S([O-])(=O)=O</moldb-smiles>
  <moldb-formula>C12H18Na5O23S4Sb</moldb-formula>
  <moldb-inchi>InChI=1S/2C6H6O8S2.5Na.7H2O.Sb/c2*7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;;;;;;;;;;;;/h2*1-2,7-8H,(H,9,10,11)(H,12,13,14);;;;;;7*1H2;/q;;5*+1;;;;;;;;+3/p-8</moldb-inchi>
  <moldb-inchikey>ZDDUXABBRATYFS-UHFFFAOYSA-F</moldb-inchikey>
  <moldb-average-mass type="decimal">895.2</moldb-average-mass>
  <moldb-mono-mass type="decimal">893.76483</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.38</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>CHEM131876</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>antimony(3+) ion pentasodium bis(3,5-disulfobenzene-1,2-bis(olate)) heptahydrate</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">137</paper-count>
  <sync-id>CED0017228</sync-id>
  <structure-inchikey>ZDDUXABBRATYFS-UHFFFAOYSA-F</structure-inchikey>
  <structure-fingerprint>20000000000000000000000000000000800000000000000000000000000000001000000000205000000020000000000800000000000000000000000000000000000000000000000000000000000000020000000000000001000000001000000000200000000100000000000102000000000000000000000000000000000000000000000000000000000000000000000000000000000040000000000000000001000060000000000000000080000200000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000040000000000000000000000400000000000000000000</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T04:49:49Z</structure-indexed-at>
</compound>
