<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">356180</id>
  <title nil="true"/>
  <common-name>(2-hexadecoxy-2-oxoethyl)-[2-[(2-hexadecoxy-2-oxoethyl)-dimethylazaniumyl]ethyl]-dimethylazanium</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>34868</pubchem-id>
  <chemical-formula>C42H86N2O4+2</chemical-formula>
  <weight>683.1</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">2026-09-01T01:25:54Z</created-at>
  <updated-at type="dateTime">2026-09-01T01:25:54Z</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>CCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCCCC</moldb-smiles>
  <moldb-formula>C42H86N2O4+2</moldb-formula>
  <moldb-inchi>InChI=1S/C42H86N2O4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-47-41(45)39-43(3,4)35-36-44(5,6)40-42(46)48-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h7-40H2,1-6H3/q+2</moldb-inchi>
  <moldb-inchikey>GILPRJGTAQPZFG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">682.6587592</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>15.7</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>CHEM352073</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>(2-hexadecoxy-2-oxoethyl)-[2-[(2-hexadecoxy-2-oxoethyl)-dimethylazaniumyl]ethyl]-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>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0306430</sync-id>
  <structure-inchikey>GILPRJGTAQPZFG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000800000000000200010000000000000000000000000000000000002000000000000000000000000000002000000000000000000000000000000000000000000010000000008000020000000000100000000000000000000000020010000010000000001000000000040000000000000000000000000000020000040000000000000000000010000000008000000000000000040000000000000000000000000000000002000200000000008000000000000000000000000000000000000000000000000000000000000000000000002000000001000000000000000000000000000000000010400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������0���/���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`������ "�������`�������`�������`�������`������ "�������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������������������������������	�	
�
����������������� ��(������������������������������������(��� � � !�!"�"#�#$�$%�%&amp;�&amp;'�'(�()�)*�*+�+,�,-�-.�./�B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:54:00Z</structure-indexed-at>
</compound>
