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  <id type="integer">350152</id>
  <title nil="true"/>
  <common-name>3-[[2,5-dihydroxy-6-[[2-hydroxy-5-sulfo-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]-8-sulfonaphthalen-1-yl]diazenyl]-4-hydroxynaphthalene-1,7-disulfonic acid</common-name>
  <description>3-[[2,5-dihydroxy-6-[[2-hydroxy-5-sulfo-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]-8-sulfonaphthalen-1-yl]diazenyl]-4-hydroxynaphthalene-1,7-disulfonic acid has the chemical formula C30H18Cl3N7O16S4. With an average molecular weight of 967.10 g/mol, 3-[[2,5-dihydroxy-6-[[2-hydroxy-5-sulfo-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]-8-sulfonaphthalen-1-yl]diazenyl]-4-hydroxynaphthalene-1,7-disulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>135849779</pubchem-id>
  <chemical-formula>C30H18Cl3N7O16S4</chemical-formula>
  <weight>967.1</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">2026-08-31T15:03:26Z</created-at>
  <updated-at type="dateTime">2026-08-31T15:03:26Z</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=C1S(=O)(=O)O)S(=O)(=O)O)N=NC3=C(C=CC4=C(C(=CC(=C43)S(=O)(=O)O)N=NC5=CC(=CC(=C5O)NC6=C(C(=NC(=N6)Cl)Cl)Cl)S(=O)(=O)O)O)O)O</moldb-smiles>
  <moldb-formula>C30H18Cl3N7O16S4</moldb-formula>
  <moldb-inchi>InChI=1S/C30H18Cl3N7O16S4/c31-23-28(32)35-30(33)36-29(23)34-15-6-11(58(48,49)50)7-16(27(15)44)37-38-18-9-21(60(54,55)56)22-13(26(18)43)3-4-19(41)24(22)40-39-17-8-20(59(51,52)53)14-5-10(57(45,46)47)1-2-12(14)25(17)42/h1-9,41-44H,(H,34,35,36)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)</moldb-inchi>
  <moldb-inchikey>MUZVHZMVTAGCRU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">964.875845</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.3</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>CHEM346045</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>3-[[2,5-dihydroxy-6-[[2-hydroxy-5-sulfo-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]-8-sulfonaphthalen-1-yl]diazenyl]-4-hydroxynaphthalene-1,7-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>CED0300459</sync-id>
  <structure-inchikey>MUZVHZMVTAGCRU-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:48:08Z</structure-indexed-at>
</compound>
