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<compound>
  <id type="integer">338572</id>
  <title nil="true"/>
  <common-name>5-acetamido-4-hydroxy-3-[[1-hydroxy-6-sulfo-8-(2-sulfooxyethylsulfonyl)naphthalen-2-yl]diazenyl]naphthalene-2,7-disulfonic acid</common-name>
  <description>5-acetamido-4-hydroxy-3-[[1-hydroxy-6-sulfo-8-(2-sulfooxyethylsulfonyl)naphthalen-2-yl]diazenyl]naphthalene-2,7-disulfonic acid has the chemical formula C24H21N3O18S5. With an average molecular weight of 799.80 g/mol, 5-acetamido-4-hydroxy-3-[[1-hydroxy-6-sulfo-8-(2-sulfooxyethylsulfonyl)naphthalen-2-yl]diazenyl]naphthalene-2,7-disulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>118549</pubchem-id>
  <chemical-formula>C24H21N3O18S5</chemical-formula>
  <weight>799.8</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">2026-08-30T21:41:55Z</created-at>
  <updated-at type="dateTime">2026-08-30T21:41:55Z</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>CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=C2O)N=NC3=C(C4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)O)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C24H21N3O18S5</moldb-formula>
  <moldb-inchi>InChI=1S/C24H21N3O18S5/c1-11(28)25-17-9-14(47(33,34)35)7-13-8-19(49(39,40)41)22(24(30)20(13)17)27-26-16-3-2-12-6-15(48(36,37)38)10-18(21(12)23(16)29)46(31,32)5-4-45-50(42,43)44/h2-3,6-10,29-30H,4-5H2,1H3,(H,25,28)(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)</moldb-inchi>
  <moldb-inchikey>CEEIQKNSNQXFRU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">798.9423667</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.4</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>CHEM334465</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>5-acetamido-4-hydroxy-3-[[1-hydroxy-6-sulfo-8-(2-sulfooxyethylsulfonyl)naphthalen-2-yl]diazenyl]naphthalene-2,7-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>CED0288999</sync-id>
  <structure-inchikey>CEEIQKNSNQXFRU-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:39:18Z</structure-indexed-at>
</compound>
