<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">356026</id>
  <title nil="true"/>
  <common-name>2-(diphenoxyphosphorylamino)ethyl-[10-[2-(diphenoxyphosphorylamino)ethyl-dimethylazaniumyl]decyl]-dimethylazanium</common-name>
  <description>2-(diphenoxyphosphorylamino)ethyl-[10-[2-(diphenoxyphosphorylamino)ethyl-dimethylazaniumyl]decyl]-dimethylazanium is a compound with the formula C42H62N4O6P2+2. With an average molecular weight of 780.90 g/mol, 2-(diphenoxyphosphorylamino)ethyl-[10-[2-(diphenoxyphosphorylamino)ethyl-dimethylazaniumyl]decyl]-dimethylazanium is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>29200</pubchem-id>
  <chemical-formula>C42H62N4O6P2+2</chemical-formula>
  <weight>780.9</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">2026-09-01T01:08:30Z</created-at>
  <updated-at type="dateTime">2026-09-01T01:08:30Z</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)(CCCCCCCCCC[N+](C)(C)CCNP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2)CCNP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4</moldb-smiles>
  <moldb-formula>C42H62N4O6P2+2</moldb-formula>
  <moldb-inchi>InChI=1S/C42H62N4O6P2/c1-45(2,37-33-43-53(47,49-39-25-15-11-16-26-39)50-40-27-17-12-18-28-40)35-23-9-7-5-6-8-10-24-36-46(3,4)38-34-44-54(48,51-41-29-19-13-20-30-41)52-42-31-21-14-22-32-42/h11-22,25-32H,5-10,23-24,33-38H2,1-4H3,(H,43,47)(H,44,48)/q+2</moldb-inchi>
  <moldb-inchikey>PKJOKFQASRRHNM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">780.4144597</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>9.2</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>CHEM351919</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-(diphenoxyphosphorylamino)ethyl-[10-[2-(diphenoxyphosphorylamino)ethyl-dimethylazaniumyl]decyl]-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 nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Quaternary ammonium salts</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0306276</sync-id>
  <structure-inchikey>PKJOKFQASRRHNM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8002000000000080000000000000000000000000008000000000000000000000000000000020000200000000000400000200000000000000000200000000000000000020000000000000002800c020001000000100000000000000000000000000000000010000000000000000000040000000000000000000000000000000000040000000800000000000010080000000000100000000000000000000000000008000100200000000080000000000000000008000000000000000000000000000000000000000000000000000000002000000000000000200000000000000000000000000000040000000010000000000000000000000000000000008</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������6���9���€���`������ "�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`������ "�������`�������`�������`�������`�������`������� ������(�������(������@(������@h�������@h�������@h�������@h�������@h��������(������@(������@h�������@h�������@h�������@h�������@h��������`�������`�������`������� ������(�������(������@(������@h�������@h�������@h�������@h�������@h��������(������@(������@h�������@h�������@h�������@h�������@h��������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:53:53Z</structure-indexed-at>
</compound>
