<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">351013</id>
  <title nil="true"/>
  <common-name>(4-chlorophenyl)methyl-[2-[4-[2-[(4-chlorophenyl)methyl-diethylazaniumyl]ethyl]piperazin-1-yl]ethyl]-diethylazanium</common-name>
  <description>(4-chlorophenyl)methyl-[2-[4-[2-[(4-chlorophenyl)methyl-diethylazaniumyl]ethyl]piperazin-1-yl]ethyl]-diethylazanium is a compound with the formula C30H48Cl2N4+2. With an average molecular weight of 535.60 g/mol, (4-chlorophenyl)methyl-[2-[4-[2-[(4-chlorophenyl)methyl-diethylazaniumyl]ethyl]piperazin-1-yl]ethyl]-diethylazanium is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>60739</pubchem-id>
  <chemical-formula>C30H48Cl2N4+2</chemical-formula>
  <weight>535.6</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">2026-08-31T16:27:19Z</created-at>
  <updated-at type="dateTime">2026-08-31T16:27:19Z</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)(CCN1CCN(CC1)CC[N+](CC)(CC)CC2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)Cl</moldb-smiles>
  <moldb-formula>C30H48Cl2N4+2</moldb-formula>
  <moldb-inchi>InChI=1S/C30H48Cl2N4/c1-5-35(6-2,25-27-9-13-29(31)14-10-27)23-21-33-17-19-34(20-18-33)22-24-36(7-3,8-4)26-28-11-15-30(32)16-12-28/h9-16H,5-8,17-26H2,1-4H3/q+2</moldb-inchi>
  <moldb-inchikey>AZCSYXFBJXNKDZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">534.3256029</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.9</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>CHEM346906</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>(4-chlorophenyl)methyl-[2-[4-[2-[(4-chlorophenyl)methyl-diethylazaniumyl]ethyl]piperazin-1-yl]ethyl]-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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Phenylmethylamines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0301316</sync-id>
  <structure-inchikey>AZCSYXFBJXNKDZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2080000000080000000000000000000000008000000000000000000220020000000000000000000000000210000000000000000000000000000000000044000000000000000000000000000000000000000000000000000000800000008000000000000000000100004002010000000000000000000000000000004002000000000000000000400000000000000000000000000000000000000000000000000000000008000000000000000000000000a000000000040000000000000000000000000000000000000010000000000000002220000000010000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������$���&amp;���€���`�������`������ "�������`�������`�������`�������`������� ������`�������`������� ������`�������`�������`�������`������ "�������`�������`�������`�������`�������`������@(������@h�������@h�������@(������@h�������@h�������� ������`������@(������@h�������@h�������@(������@h�������@h�������� ������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:48:58Z</structure-indexed-at>
</compound>
