343685 <common-name>7-[[4-chloro-6-(4-chloro-3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid</common-name> <description>7-[[4-chloro-6-(4-chloro-3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid has the chemical formula C26H19Cl2N7O11S3. With an average molecular weight of 772.60 g/mol, 7-[[4-chloro-6-(4-chloro-3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>136033777</pubchem-id> <chemical-formula>C26H19Cl2N7O11S3</chemical-formula> <weight>772.6</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">2026-08-31T05:13:02Z</created-at> <updated-at type="dateTime">2026-08-31T05:13:02Z</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>COC1=CC(=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC4=NC(=NC(=N4)Cl)NC5=CC(=C(C=C5)Cl)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles> <moldb-formula>C26H19Cl2N7O11S3</moldb-formula> <moldb-inchi>InChI=1S/C26H19Cl2N7O11S3/c1-46-15-4-7-18(20(11-15)48(40,41)42)34-35-22-21(49(43,44)45)9-12-8-13(2-5-16(12)23(22)36)29-25-31-24(28)32-26(33-25)30-14-3-6-17(27)19(10-14)47(37,38)39/h2-11,36H,1H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H2,29,30,31,32,33)</moldb-inchi> <moldb-inchikey>SZTHIUASBKMYHL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">770.9681734</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>CHEM339578</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-chloro-6-(4-chloro-3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)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>CED0294059</sync-id> <structure-inchikey>SZTHIUASBKMYHL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000001000001000000000000020000000000000001802000000000000000000000000000002040000200020020008000000000000000000000001000000008000000004000000080000020200000200020000041000002040000000000000400000100000008500000001000000000000030000004000000000000000000000000400000000000000000000000800000008000000000000000000000000000080000000048000400000800000001000000000000000800034000000000a0040000100220002000000000000000400010000000000004000200000000000000000000000001000040000000020000000000000008000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAxAAAANQAAAIABBgBgAAAAAQMIACgAAAAD AgZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQZA aAAAAAMDAQcAKAAAAAMDBwAoAAAAAwMGQCgAAAADBAZAKAAAAAMEBkBoAAAA AwMBBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMD AQZAKAAAAAMEBkAoAAAAAwQIAGgAAAADAQEHAGgAAAADAgEGQCgAAAADBAdA KAAAAAMDBkAoAAAAAwQHQCgAAAADAwZAKAAAAAMEB0AoAAAAAwMRACAAAAAB BwBoAAAAAwIBBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAKAAAAAMEBkBo AAAAAwMBBkBoAAAAAwMBEQAgAAAAARAAIAAAAAYIACgAAAADAggAKAAAAAMC CABgAAAAAQEQACAAAAAGCAAoAAAAAwIIACgAAAADAggAYAAAAAEBEAAgAAAA BggAKAAAAAMCCAAoAAAAAwIIAGAAAAABAQsAAQABAiACA2gMAwRoDAQFaAwF BmgMBgdoDAUIIAgJKAIJCiAKC2gMCwxoDAwNaAwNDmgMDg9oDA8QaAwQEWgM ERJoDBITaAwTFCAPFSAVFiAWF2gMFxhoDBgZaAwZGmgMGhtoDBocABgdIB0e IB4faAwfIGgMICFoDCEiaAwiI2gMISQAICUAJSYIAiUnCAIlKAALKQApKggC KSsIAiksAAQtAC0uCAItLwgCLTAABwJoDBMKaAwSDWgMGxZoDCMeaAxCBQAA AAYCBwYFBAMGCwwNEhMKBg4PEBESDQYXGBkaGxYGHyAhIiMeFwQAAAAAAAAA Fg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:43:02Z</structure-indexed-at> </compound>