<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">344937</id>
  <title nil="true"/>
  <common-name>[2-[4-[[4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]phenyl]diazenyl]anilino]-2-oxoethyl]-triethylazanium</common-name>
  <description>[2-[4-[[4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]phenyl]diazenyl]anilino]-2-oxoethyl]-triethylazanium is a chemical compound with the formula C26H31N6O4+. It has an average molecular weight of 491.60 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>16738452</pubchem-id>
  <chemical-formula>C26H31N6O4+</chemical-formula>
  <weight>491.6</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">2026-08-31T07:10:15Z</created-at>
  <updated-at type="dateTime">2026-08-31T07:10:15Z</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)(CC)CC(=O)NC1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)CN3C(=O)C=CC3=O</moldb-smiles>
  <moldb-formula>C26H31N6O4+</moldb-formula>
  <moldb-inchi>InChI=1S/C26H30N6O4/c1-4-32(5-2,6-3)18-24(34)28-20-9-13-22(14-10-20)30-29-21-11-7-19(8-12-21)27-23(33)17-31-25(35)15-16-26(31)36/h7-16H,4-6,17-18H2,1-3H3,(H-,27,28,29,30,33,34,35,36)/p+1</moldb-inchi>
  <moldb-inchikey>RCSRTHOZBPZINK-UHFFFAOYSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">491.2406785</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.5</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>CHEM340830</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-[[4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]phenyl]diazenyl]anilino]-2-oxoethyl]-triethylazanium</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>Azobenzenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0295299</sync-id>
  <structure-inchikey>RCSRTHOZBPZINK-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>1004000080000800000000800000000000000000100200000000000000000000002000020400000000000000000000002100000000000000000000000000000201000000000080000000000000020000000000000000004000000000000000000010000000010000000000000040000001100000000000000000000000000000040000400000000000000000080000000000000000000000000200000080000008000080000000000080000200000000000000000000000000000040000000000000100000001000000000000000080000000000000000200000000000002008000000002000040000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������$���&amp;���€���`�������`������ "�������`�������`�������`�������`�������`�������(�������(�������h�������@(������@h�������@h�������@(������@h�������@h��������(�������(������@(������@h�������@h�������@(������@h�������@h��������h��������(�������(�������`�������(�������(�������(�������h��������h��������(�������(�������������������������������	(��
 
� ��h��h��h���h���h��� ��(��� ��h���h���h���h���h��� �� ��(��������� ��(��   !(�!" "#(���h���h�"� B��������������������"! ����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:44:08Z</structure-indexed-at>
</compound>
