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<compound>
  <id type="integer">356028</id>
  <title nil="true"/>
  <common-name>2-[[4,6-bis[2-[[chloro(phenyl)methyl]-diethylazaniumyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl-[chloro(phenyl)methyl]-diethylazanium</common-name>
  <description>2-[[4,6-bis[2-[[chloro(phenyl)methyl]-diethylazaniumyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl-[chloro(phenyl)methyl]-diethylazanium is a compound with the formula C42H63Cl3N9+3. With an average molecular weight of 800.40 g/mol, 2-[[4,6-bis[2-[[chloro(phenyl)methyl]-diethylazaniumyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl-[chloro(phenyl)methyl]-diethylazanium is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>115636</pubchem-id>
  <chemical-formula>C42H63Cl3N9+3</chemical-formula>
  <weight>800.4</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">2026-09-01T01:08:44Z</created-at>
  <updated-at type="dateTime">2026-09-01T01:08:44Z</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+](CC)(CCNC1=NC(=NC(=N1)NCC[N+](CC)(CC)C(C2=CC=CC=C2)Cl)NCC[N+](CC)(CC)C(C3=CC=CC=C3)Cl)C(C4=CC=CC=C4)Cl</moldb-smiles>
  <moldb-formula>C42H63Cl3N9+3</moldb-formula>
  <moldb-inchi>InChI=1S/C42H63Cl3N9/c1-7-52(8-2,37(43)34-22-16-13-17-23-34)31-28-46-40-49-41(47-29-32-53(9-3,10-4)38(44)35-24-18-14-19-25-35)51-42(50-40)48-30-33-54(11-5,12-6)39(45)36-26-20-15-21-27-36/h13-27,37-39H,7-12,28-33H2,1-6H3,(H3,46,47,48,49,50,51)/q+3</moldb-inchi>
  <moldb-inchikey>PEFNWTIEIZOBCD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">798.427201</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>9.9</logp>
  <hmdb-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>CHEM351921</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-[[4,6-bis[2-[[chloro(phenyl)methyl]-diethylazaniumyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl-[chloro(phenyl)methyl]-diethylazanium</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>Organoheterocyclic compounds</superklass>
  <klass>Triazines</klass>
  <subklass>Aminotriazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0306278</sync-id>
  <structure-inchikey>PEFNWTIEIZOBCD-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:53:53Z</structure-indexed-at>
</compound>
