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  <id type="integer">353412</id>
  <title nil="true"/>
  <common-name>7-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]naphthalene-2-sulfonic acid</common-name>
  <description>7-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]naphthalene-2-sulfonic acid has the chemical formula C34H46N12O5S. With an average molecular weight of 734.90 g/mol, 7-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]naphthalene-2-sulfonic acid is a heavy molecule.</description>
  <cas>790240-83-4</cas>
  <pubchem-id>136826529</pubchem-id>
  <chemical-formula>C34H46N12O5S</chemical-formula>
  <weight>734.9</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">2026-08-31T20:19:34Z</created-at>
  <updated-at type="dateTime">2026-08-31T20:19:34Z</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>CCN(CC)CCCNC1=NC(=NC(=N1)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=CC5=C(C=C4)NC(=O)N5)S(=O)(=O)O)NCCCN(CC)CC</moldb-smiles>
  <moldb-formula>C34H46N12O5S</moldb-formula>
  <moldb-inchi>InChI=1S/C34H46N12O5S/c1-5-45(6-2)17-9-15-35-31-40-32(36-16-10-18-46(7-3)8-4)42-33(41-31)37-23-11-13-25-22(19-23)20-28(52(49,50)51)29(30(25)47)44-43-24-12-14-26-27(21-24)39-34(48)38-26/h11-14,19-21,47H,5-10,15-18H2,1-4H3,(H2,38,39,48)(H,49,50,51)(H3,35,36,37,40,41,42)</moldb-inchi>
  <moldb-inchikey>CAIUTQYXPFOFOE-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">734.3434838</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.5</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <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>CHEM349305</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>7-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]naphthalene-2-sulfonic 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>CED0303696</sync-id>
  <structure-inchikey>CAIUTQYXPFOFOE-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:51:10Z</structure-indexed-at>
</compound>
