<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">353373</id>
  <title nil="true"/>
  <common-name>2-acetyloxyethyl-[2-[4-[4-[4-[2-[2-acetyloxyethyl(dimethyl)azaniumyl]acetyl]phenyl]phenyl]phenyl]-2-oxoethyl]-dimethylazanium</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3055967</pubchem-id>
  <chemical-formula>C34H42N2O6+2</chemical-formula>
  <weight>574.7</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">2026-08-31T20:16:39Z</created-at>
  <updated-at type="dateTime">2026-08-31T20:16:39Z</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>CC(=O)OCC[N+](C)(C)CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[N+](C)(C)CCOC(=O)C</moldb-smiles>
  <moldb-formula>C34H42N2O6+2</moldb-formula>
  <moldb-inchi>InChI=1S/C34H42N2O6/c1-25(37)41-21-19-35(3,4)23-33(39)31-15-11-29(12-16-31)27-7-9-28(10-8-27)30-13-17-32(18-14-30)34(40)24-36(5,6)20-22-42-26(2)38/h7-18H,19-24H2,1-6H3/q+2</moldb-inchi>
  <moldb-inchikey>UPOQLTBBLRTKOI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">574.3042871</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.5</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>CHEM349266</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-acetyloxyethyl-[2-[4-[4-[4-[2-[2-acetyloxyethyl(dimethyl)azaniumyl]acetyl]phenyl]phenyl]phenyl]-2-oxoethyl]-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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Terphenyls</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0303657</sync-id>
  <structure-inchikey>UPOQLTBBLRTKOI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000800000000000000010000000080000000000000000000000000000000080000000000000000000000002000800000000000000000000000000000000000000000000000008000020000000000100000000000000000000000000010000010002000000000000802040000000000000000000000000400010000040000000000000000000000000800000000000000000000000000000000000000000000000000000084000200000000000000000000000000000000000000000000080000000200000000000000000044000000000000200001000000000000000000000000040000000000400000000000800000000000000000000</structure-fingerprint>
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  <structure-pickle>ï¾­Þ����������������*���,���€���`�������(�������(�������(�������`�������`������ "�������`�������`�������`�������(�������(������@(������@h�������@h�������@(������@h�������@h�������@(������@h�������@h�������@(������@h�������@h�������@(������@h�������@h�������@(������@h�������@h��������(�������(�������`������ "�������`�������`�������`�������`�������(�������(�������(�������`�����������(��� ����������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:51:07Z</structure-indexed-at>
</compound>
