<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">354349</id>
  <title nil="true"/>
  <common-name>7-[[4-[[4-[(6,8-disulfonaphthalen-2-yl)diazenyl]-2-methoxy-5-methylphenyl]carbamoylamino]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid</common-name>
  <description>7-[[4-[[4-[(6,8-disulfonaphthalen-2-yl)diazenyl]-2-methoxy-5-methylphenyl]carbamoylamino]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid has the chemical formula C37H32N6O15S4. With an average molecular weight of 928.90 g/mol, 7-[[4-[[4-[(6,8-disulfonaphthalen-2-yl)diazenyl]-2-methoxy-5-methylphenyl]carbamoylamino]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>159520</pubchem-id>
  <chemical-formula>C37H32N6O15S4</chemical-formula>
  <weight>928.9</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">2026-08-31T21:49:08Z</created-at>
  <updated-at type="dateTime">2026-08-31T21:49:08Z</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>CC1=CC(=C(C=C1N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)OC)NC(=O)NC4=C(C=C(C(=C4)C)N=NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)O)S(=O)(=O)O)OC</moldb-smiles>
  <moldb-formula>C37H32N6O15S4</moldb-formula>
  <moldb-inchi>InChI=1S/C37H32N6O15S4/c1-19-9-31(33(57-3)17-29(19)42-40-23-7-5-21-11-25(59(45,46)47)15-35(27(21)13-23)61(51,52)53)38-37(44)39-32-10-20(2)30(18-34(32)58-4)43-41-24-8-6-22-12-26(60(48,49)50)16-36(28(22)14-24)62(54,55)56/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)</moldb-inchi>
  <moldb-inchikey>ASQVYUJOCNRDNS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">928.080849</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.2</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>CHEM350242</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-[[4-[(6,8-disulfonaphthalen-2-yl)diazenyl]-2-methoxy-5-methylphenyl]carbamoylamino]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-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>CED0304631</sync-id>
  <structure-inchikey>ASQVYUJOCNRDNS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>402000000000800000000000000000000000000000000080300000000000400000200000000005000000020000000000800000000000100000000000000000000000000000000400008000000020000020000020000100000004000000008000000000010000000840000000100000000000001000000000000000000000100000000060000000000000000000000080000000000000000080000000000000000400000000000000040008080100000000000000000000088001000000000080000000000000000000000000000000000080000000002000000200000000000000008000000003000040000000004400000000000020000410000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAA+AAAAQwAAAIABBgBgAAAAAQMGQCgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:52:16Z</structure-indexed-at>
</compound>
