<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">18848</id>
  <title nil="true"/>
  <common-name>C.I. Direct Red 81 disodium salt</common-name>
  <description nil="true"/>
  <cas>2610-11-9</cas>
  <pubchem-id>17462</pubchem-id>
  <chemical-formula>C29H19N5Na2O8S2</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">2016-05-22T04:35:54Z</created-at>
  <updated-at type="dateTime">2026-04-03T06:53:42Z</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>[Na+].[Na+].OS(=O)(=O)C1=CC2=CC(NC(=O)C3=CC=CC=C3)=CC=C2C([O-])=C1N=NC1=CC=C(C=C1)N=NC1=CC=C(C=C1)S([O-])(=O)=O</moldb-smiles>
  <moldb-formula>C29H19N5Na2O8S2</moldb-formula>
  <moldb-inchi>InChI=1S/C29H21N5O8S2.2Na/c35-28-25-15-12-23(30-29(36)18-4-2-1-3-5-18)16-19(25)17-26(44(40,41)42)27(28)34-33-21-8-6-20(7-9-21)31-32-22-10-13-24(14-11-22)43(37,38)39;;/h1-17,35H,(H,30,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2</moldb-inchi>
  <moldb-inchikey>UFUQRRYHIHJMPB-UHFFFAOYSA-L</moldb-inchikey>
  <moldb-average-mass type="decimal">675.6</moldb-average-mass>
  <moldb-mono-mass type="decimal">675.0470435</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>21159679</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>CHEM017743</chemdb-id>
  <dsstox-id>DTXSID5041726</dsstox-id>
  <toxcast-id>41726</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00019517</susdat-id>
  <iupac>disodium 6-benzamido-3-sulfo-2-(2-{4-[2-(4-sulfonatophenyl)diazen-1-yl]phenyl}diazen-1-yl)naphthalen-1-olate</iupac>
</compound>
