<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">45254</id>
  <title nil="true"/>
  <common-name>1,1,2,2,3,3,4,4-octafluoro-4-[(hydroxyamino)-$l^{2}-fluoranyl]-N-[3-(hydroxydimethylamino)propyl]butane-1-sulfonamide</common-name>
  <description nil="true"/>
  <cas>179005-06-2</cas>
  <pubchem-id>481191198</pubchem-id>
  <chemical-formula>C9H14F9N2O3S</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">2016-06-03T11:48:22Z</created-at>
  <updated-at type="dateTime">2026-03-26T20:39:47Z</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>C[N+](C)(O)CCCNS([O])([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</moldb-smiles>
  <moldb-formula>C9H14F9N2O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C9H14F9N2O3S/c1-20(2,21)5-3-4-19-24(22,23)9(17,18)7(12,13)6(10,11)8(14,15)16/h19,21H,3-5H2,1-2H3</moldb-inchi>
  <moldb-inchikey>VMBUDJJJCUKMMD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">401.27</moldb-average-mass>
  <moldb-mono-mass type="decimal">401.05814196</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>CHEM044149</chemdb-id>
  <dsstox-id>DTXSID30881884</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id>SI00005164</stoff-ident-id>
  <susdat-id>NS00002949</susdat-id>
  <iupac>({[3-(hydroxydimethylazaniumyl)propyl]amino}(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxido-lambda4-sulfanyl)oxidanyl</iupac>
</compound>
