<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">17173</id>
  <title nil="true"/>
  <common-name>Methyl red</common-name>
  <description nil="true"/>
  <cas>493-52-7</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C15H15N3O2</chemical-formula>
  <weight nil="true"/>
  <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">2016-05-20T16:13:13Z</created-at>
  <updated-at type="dateTime">2026-04-03T00:16:23Z</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>CN(C)C1=CC=C(C=C1)\N=N\C1=CC=CC=C1C(O)=O</moldb-smiles>
  <moldb-formula>C15H15N3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+</moldb-inchi>
  <moldb-inchikey>CEQFOVLGLXCDCX-WUKNDPDISA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">269.2985</moldb-average-mass>
  <moldb-mono-mass type="decimal">269.116426739</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>9881</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>CHEM016068</chemdb-id>
  <dsstox-id>DTXSID1042154</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00014994</susdat-id>
  <iupac>2-[(E)-2-[4-(dimethylamino)phenyl]diazen-1-yl]benzoic acid</iupac>
</compound>
