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<compound>
  <id type="integer">97565</id>
  <title nil="true"/>
  <common-name>[3-[Bis[2-[(1-oxooctadecyl)amino]ethyl]amino]propylidyne]ethylammonium ethyl sulphate</common-name>
  <description>[3-[Bis[2-[(1-oxooctadecyl)amino]ethyl]amino]propylidyne]ethylammonium ethyl sulphate belongs to the fatty amides, a subclass of fatty acyls within the organic compounds. This lipid-like molecule has the formula C45H89N4O2. With an average molecular weight of 843.35 g/mol, [3-[Bis[2-[(1-oxooctadecyl)amino]ethyl]amino]propylidyne]ethylammonium ethyl sulphate is a heavy molecule.</description>
  <cas>68189-22-0</cas>
  <pubchem-id>176304</pubchem-id>
  <chemical-formula>C45H89N4O2</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">2026-04-05T05:21:41Z</created-at>
  <updated-at type="dateTime">2026-04-05T05:21:41Z</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>CCOS([O-])(=O)=O.CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)CCC#[N+]CC</moldb-smiles>
  <moldb-formula>C45H89N4O2</moldb-formula>
  <moldb-inchi>InChI=1/C45H88N4O2.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-44(50)47-39-42-49(41-35-38-46-6-3)43-40-48-45(51)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h4-37,39-43H2,1-3H3,(H-,47,48,50,51);2H2,1H3,(H,3,4,5)</moldb-inchi>
  <moldb-inchikey>HRXITENIGSVCFD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">843.35</moldb-average-mass>
  <moldb-mono-mass type="decimal">717.6985531</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM093458</chemdb-id>
  <dsstox-id>DTXSID40887231</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00059910</susdat-id>
  <iupac nil="true"/>
  <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"/>
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  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Fatty Acyls</klass>
  <subklass>Fatty amides</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0085183</sync-id>
  <structure-inchikey>HRXITENIGSVCFD-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:37:38Z</structure-indexed-at>
</compound>
