<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">334280</id>
  <title nil="true"/>
  <common-name>4-amino-6-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxy-4-sulfonaphthalen-1-yl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid</common-name>
  <description>4-amino-6-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxy-4-sulfonaphthalen-1-yl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid has the chemical formula C23H17ClN8O11S3. With an average molecular weight of 713.10 g/mol, 4-amino-6-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxy-4-sulfonaphthalen-1-yl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>162843</pubchem-id>
  <chemical-formula>C23H17ClN8O11S3</chemical-formula>
  <weight>713.1</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">2026-08-30T15:54:10Z</created-at>
  <updated-at type="dateTime">2026-08-30T15:54:10Z</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>C1=CC2=C(C(=CC(=C2C=C1NC3=NC(=NC(=N3)N)Cl)S(=O)(=O)O)O)N=NC4=C(C5=C(C=C4)C(=CC(=C5N)S(=O)(=O)O)S(=O)(=O)O)O</moldb-smiles>
  <moldb-formula>C23H17ClN8O11S3</moldb-formula>
  <moldb-inchi>InChI=1S/C23H17ClN8O11S3/c24-21-28-22(26)30-23(29-21)27-8-1-2-9-11(5-8)14(44(35,36)37)6-13(33)19(9)32-31-12-4-3-10-15(45(38,39)40)7-16(46(41,42)43)18(25)17(10)20(12)34/h1-7,33-34H,25H2,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H3,26,27,28,29,30)</moldb-inchi>
  <moldb-inchikey>FEPQHKSSOPEILX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">711.9867446</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.1</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>CHEM330173</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>4-amino-6-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxy-4-sulfonaphthalen-1-yl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid</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>Benzenoids</superklass>
  <klass>Naphthalenes</klass>
  <subklass>Naphthalene sulfonic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0284758</sync-id>
  <structure-inchikey>FEPQHKSSOPEILX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000010000000108000000000200000000000000010020000000000000000010000000000000400002000000200080014000000000000000000010000000000000000040000000800000202000002800000000000001000400000000800000000001000000081000000010000000000020300000000000000000000000000000000000000000000000000000008000100008000000000000800000000000000000000000600004000008000000080000000000c000080001010000010000000000000220002100000000000000400010000002000004000200000000000000000000000001020040000000020000000000000000028000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAuAAAAMgAAAIABBkBoAAAAAwMBBkBoAAAA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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:36:09Z</structure-indexed-at>
</compound>
