<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">356049</id>
  <title nil="true"/>
  <common-name>7-[3-[7-[diethyl(methyl)azaniumyl]heptoxycarbonyl]-2,4-diphenylcyclobutanecarbonyl]oxyheptyl-diethyl-methylazanium</common-name>
  <description>7-[3-[7-[diethyl(methyl)azaniumyl]heptoxycarbonyl]-2,4-diphenylcyclobutanecarbonyl]oxyheptyl-diethyl-methylazanium is a compound with the formula C42H68N2O4+2. With an average molecular weight of 665.00 g/mol, 7-[3-[7-[diethyl(methyl)azaniumyl]heptoxycarbonyl]-2,4-diphenylcyclobutanecarbonyl]oxyheptyl-diethyl-methylazanium is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>24895</pubchem-id>
  <chemical-formula>C42H68N2O4+2</chemical-formula>
  <weight>665</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">2026-09-01T01:11:11Z</created-at>
  <updated-at type="dateTime">2026-09-01T01:11:11Z</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[N+](C)(CC)CCCCCCCOC(=O)C1C(C(C1C2=CC=CC=C2)C(=O)OCCCCCCC[N+](C)(CC)CC)C3=CC=CC=C3</moldb-smiles>
  <moldb-formula>C42H68N2O4+2</moldb-formula>
  <moldb-inchi>InChI=1S/C42H68N2O4/c1-7-43(5,8-2)31-23-13-11-15-25-33-47-41(45)39-37(35-27-19-17-20-28-35)40(38(39)36-29-21-18-22-30-36)42(46)48-34-26-16-12-14-24-32-44(6,9-3)10-4/h17-22,27-30,37-40H,7-16,23-26,31-34H2,1-6H3/q+2</moldb-inchi>
  <moldb-inchikey>RVLZLUPHYNDPOB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">664.5179087</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>8.7</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>CHEM351942</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>7-[3-[7-[diethyl(methyl)azaniumyl]heptoxycarbonyl]-2,4-diphenylcyclobutanecarbonyl]oxyheptyl-diethyl-methylazanium</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 nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0306299</sync-id>
  <structure-inchikey>RVLZLUPHYNDPOB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000800000000800000010000000000000000000000000000000000002000000000100000000000004000002000000000000000200000000000002000000000000000000000408000020000000000100000000000000000000000000010000000000800000000000000040000000000020008000000000100000000040000000800000100000010000000000000100000000000040000001000000008000000000000000080000000000000000004000000000020000000000000000000000000000000000000001000000000000000002001200000000080000000000000000000040000000010400000000000000000000000000000000</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:53:54Z</structure-indexed-at>
</compound>
