334995 <common-name>2,5-dichloro-4-[4-[[5-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]benzenesulfonic acid</common-name> <description>2,5-dichloro-4-[4-[[5-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]benzenesulfonic acid has the chemical formula C23H21Cl3N8O9S2. With an average molecular weight of 724.00 g/mol, 2,5-dichloro-4-[4-[[5-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]benzenesulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>174980</pubchem-id> <chemical-formula>C23H21Cl3N8O9S2</chemical-formula> <weight>724</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">2026-08-30T16:57:05Z</created-at> <updated-at type="dateTime">2026-08-30T16:57:05Z</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>CCOCCOC1=NC(=NC(=N1)NC2=CC(=C(C=C2)S(=O)(=O)O)N=NC3C(=NN(C3=O)C4=CC(=C(C=C4Cl)S(=O)(=O)O)Cl)C)Cl</moldb-smiles> <moldb-formula>C23H21Cl3N8O9S2</moldb-formula> <moldb-inchi>InChI=1S/C23H21Cl3N8O9S2/c1-3-42-6-7-43-23-29-21(26)28-22(30-23)27-12-4-5-17(44(36,37)38)15(8-12)31-32-19-11(2)33-34(20(19)35)16-9-14(25)18(10-13(16)24)45(39,40)41/h4-5,8-10,19H,3,6-7H2,1-2H3,(H,36,37,38)(H,39,40,41)(H,27,28,29,30)</moldb-inchi> <moldb-inchikey>QGBAWNYMRHAPEL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">721.99385</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM330888</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>2,5-dichloro-4-[4-[[5-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]benzenesulfonic 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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0285471</sync-id> <structure-inchikey>QGBAWNYMRHAPEL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4042000000100000000800000000000000000000000000100800000000000000200000002000020004008020002002000800000000000000800000000100004000000000800404000008000000020008020000008000100000004000000000000000000010000000810000000100008000000003100100000000000000000100001000048000000000000000000000080000000100000000000020000000000000100000000004000000008080001800100000000080000090000000000000000000000100220800000000008004000000010000002002000000200000000000000000000000001000040000800020000000040400000000080001000000200</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAtAAAAMAAAAIABBgBgAAAAAQMGAGAAAAAC AggAIAAAAAIGAGAAAAACAgYAYAAAAAICCAAoAAAAAwIGQCgAAAADBAdAKAAA AAMDBkAoAAAAAwQHQCgAAAADAwZAKAAAAAMEB0AoAAAAAwMHAGgAAAADAgEG QCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQGgA AAADAwEQACAAAAAGCAAoAAAAAwIIACgAAAADAggAYAAAAAEBBwAoAAAAAwMH ACgAAAADAwYAYAAAAAMBBgAoAAAAAwQHACgAAAADAwcAKAAAAAMDBgAoAAAA AwQIACgAAAADAgZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQCgAAAADBAZA aAAAAAMDAQZAKAAAAAMEEQAgAAAAARAAIAAAAAYIACgAAAADAggAKAAAAAMC CABgAAAAAQERACAAAAABBgBgAAAAAQMRACAAAAABCwABAAECAAIDAAMEAAQF AAUGIAYHaAwHCGgMCAloDAkKaAwKC2gMCgwgDA0gDQ5oDA4PaAwPEGgMEBFo DBESaAwQEwATFAgCExUIAhMWAA8XIBcYKAIYGQAZGgAaGygCGxwgHB0gHR4o AhwfIB8gaAwgIWgMISJoDCIjaAwjJGgMJCUAIiYAJicIAiYoCAImKQAhKgAa KwAILAALBmgMEg1oDB0ZACQfaAxCBAAAAAYGCwoJCAcGDg8QERINBRoZHRwb BiAhIiMkHxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:36:45Z</structure-indexed-at> </compound>