<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4917</id>
  <title>T3D4862</title>
  <common-name>Disodium 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonate</common-name>
  <description>Disodium 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonate is a food dye&lt;br /&gt; Disodium 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonate belongs to the family of Naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.</description>
  <cas>2783-94-0</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C16H12N2Na2O7S2</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>390 °C</melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility>190 mg/mL at 25 °C</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity></mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>3, not classifiable as to its carcinogenicity to humans. (L135)</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-09-11T05:19:44Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:58Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id nil="true"/>
  <omim-id></omim-id>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[Na+].[Na+].OC1=C(\N=N\C2=CC=C(C=C2)S(O)(=O)=O)C2=CC=C(C=C2C=C1)S(O)(=O)=O</moldb-smiles>
  <moldb-formula>C16H12N2Na2O7S2</moldb-formula>
  <moldb-inchi>InChI=1S/C16H12N2O7S2.2Na/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/b18-17+;;</moldb-inchi>
  <moldb-inchikey>InChIKey=OIQPTROHQCGFEF-QIKYXUGXSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">454.384</moldb-average-mass>
  <moldb-mono-mass type="decimal">453.987034318</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id>HMDB30683</hmdb-id>
  <chembl-id></chembl-id>
  <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"/>
</compound>
