<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">15297</id>
  <title nil="true"/>
  <common-name>1,4-Benzenedicarboxylic acid, 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis-, tetramethyl ester</common-name>
  <description nil="true"/>
  <cas>68516-73-4</cas>
  <pubchem-id>109448</pubchem-id>
  <chemical-formula>C34H32N6O12</chemical-formula>
  <weight>716.6</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">2016-05-19T04:25:41Z</created-at>
  <updated-at type="dateTime">2026-04-17T18:32:14Z</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>COC(=O)C1=CC(N=NC(C(C)=O)C(=O)NC2=CC=C(NC(=O)C(N=NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC)C(C)=O)C=C2)=C(C=C1)C(=O)OC</moldb-smiles>
  <moldb-formula>C34H32N6O12</moldb-formula>
  <moldb-inchi>InChI=1S/C34H32N6O12/c1-17(41)27(39-37-25-15-19(31(45)49-3)7-13-23(25)33(47)51-5)29(43)35-21-9-11-22(12-10-21)36-30(44)28(18(2)42)40-38-26-16-20(32(46)50-4)8-14-24(26)34(48)52-6/h7-16,27-28H,1-6H3,(H,35,43)(H,36,44)</moldb-inchi>
  <moldb-inchikey>BZKXDIAAIOXKAH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">716.66</moldb-average-mass>
  <moldb-mono-mass type="decimal">716.207820494</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>98399</chemspider-id>
  <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>CHEM014192</chemdb-id>
  <dsstox-id>DTXSID20867657</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>REACH</stoff-ident-origin>
  <stoff-ident-id>SI00008442</stoff-ident-id>
  <susdat-id>NS00004219</susdat-id>
  <iupac>1,4-dimethyl 2-[2-(1-{[4-(2-{2-[2,5-bis(methoxycarbonyl)phenyl]diazen-1-yl}-3-oxobutanamido)phenyl]carbamoyl}-2-oxopropyl)diazen-1-yl]benzene-1,4-dicarboxylate</iupac>
</compound>
