345822 <common-name>8-[[5-(2-bromoprop-2-enoylamino)-2-sulfophenyl]diazenyl]-1-(2-chloroanilino)-9-hydroxy-2-methylbenzo[e]benzimidazole-7-sulfonic acid</common-name> <description>8-[[5-(2-bromoprop-2-enoylamino)-2-sulfophenyl]diazenyl]-1-(2-chloroanilino)-9-hydroxy-2-methylbenzo[e]benzimidazole-7-sulfonic acid has the chemical formula C27H20BrClN6O8S2. With an average molecular weight of 736.00 g/mol, 8-[[5-(2-bromoprop-2-enoylamino)-2-sulfophenyl]diazenyl]-1-(2-chloroanilino)-9-hydroxy-2-methylbenzo[e]benzimidazole-7-sulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>175074</pubchem-id> <chemical-formula>C27H20BrClN6O8S2</chemical-formula> <weight>736</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">2026-08-31T08:49:50Z</created-at> <updated-at type="dateTime">2026-08-31T08:49:50Z</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=NC2=C(N1NC3=CC=CC=C3Cl)C4=C(C(=C(C=C4C=C2)S(=O)(=O)O)N=NC5=C(C=CC(=C5)NC(=O)C(=C)Br)S(=O)(=O)O)O</moldb-smiles> <moldb-formula>C27H20BrClN6O8S2</moldb-formula> <moldb-inchi>InChI=1S/C27H20BrClN6O8S2/c1-13(28)27(37)31-16-8-10-21(44(38,39)40)20(12-16)32-33-24-22(45(41,42)43)11-15-7-9-19-25(23(15)26(24)36)35(14(2)30-19)34-18-6-4-3-5-17(18)29/h3-12,34,36H,1H2,2H3,(H,31,37)(H,38,39,40)(H,41,42,43)</moldb-inchi> <moldb-inchikey>QGAJRDCTDJFDQD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass 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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>CED0296176</sync-id> <structure-inchikey>QGAJRDCTDJFDQD-UHFFFAOYSA-N</structure-inchikey> 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