<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">313520</id>
  <title nil="true"/>
  <common-name>3-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(3-sulfopropyl)amino]propyl-(2-hydroxyethyl)-dimethylazanium</common-name>
  <description>3-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(3-sulfopropyl)amino]propyl-(2-hydroxyethyl)-dimethylazanium has the chemical formula C18H24F17N2O6S2+. With an average molecular weight of 751.50 g/mol, 3-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(3-sulfopropyl)amino]propyl-(2-hydroxyethyl)-dimethylazanium is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>109967</pubchem-id>
  <chemical-formula>C18H24F17N2O6S2+</chemical-formula>
  <weight>751.5</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">2026-08-29T10:21:14Z</created-at>
  <updated-at type="dateTime">2026-08-29T10:21:14Z</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)(CCCN(CCCS(=O)(=O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO</moldb-smiles>
  <moldb-formula>C18H24F17N2O6S2+</moldb-formula>
  <moldb-inchi>InChI=1S/C18H23F17N2O6S2/c1-37(2,8-9-38)7-3-5-36(6-4-10-44(39,40)41)45(42,43)18(34,35)16(29,30)14(25,26)12(21,22)11(19,20)13(23,24)15(27,28)17(31,32)33/h38H,3-10H2,1-2H3/p+1</moldb-inchi>
  <moldb-inchikey>FZCRAUGJBWCZQX-UHFFFAOYSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">751.0804326</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.4</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>CHEM309413</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-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(3-sulfopropyl)amino]propyl-(2-hydroxyethyl)-dimethylazanium</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>Organohalogen compounds</superklass>
  <klass>Alkyl halides</klass>
  <subklass>Alkyl fluorides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0264427</sync-id>
  <structure-inchikey>FZCRAUGJBWCZQX-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>1000020000100000800000002000000000000000000000000002000000000000000000000000000000020000001000000002000000000000004040000000000000100000000000008000000008004020000000000000000000000000000000000000010000010000000000004200000048000000000000080000000000000000000040000000404000000000000000000000000200000000000000000000000000000000800000000000000002840010000000040000080000020400000000000000000000000000000000000000008000000000000000000000000000000000000000000100000000000000010000800001000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������-���,���€���`������ "�������`�������`�������`�������`������� ������`�������`�������`������� ������(�������(�������`������� ������(�������(������� ������ ������ ������ ������ ������ ������ ������ ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ����	� ������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:20:12Z</structure-indexed-at>
</compound>
