337922 <common-name>4-[[4-chloro-6-[3-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid</common-name> <description>4-[[4-chloro-6-[3-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid has the chemical formula C24H18Cl2N10O6S2. With an average molecular weight of 677.50 g/mol, 4-[[4-chloro-6-[3-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>15219964</pubchem-id> <chemical-formula>C24H18Cl2N10O6S2</chemical-formula> <weight>677.5</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">2026-08-30T20:54:19Z</created-at> <updated-at type="dateTime">2026-08-30T20:54:19Z</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>C1=CC(=CC(=C1)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)O)Cl)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)S(=O)(=O)O)Cl</moldb-smiles> <moldb-formula>C24H18Cl2N10O6S2</moldb-formula> <moldb-inchi>InChI=1S/C24H18Cl2N10O6S2/c25-19-31-21(27-13-4-8-17(9-5-13)43(37,38)39)35-23(33-19)29-15-2-1-3-16(12-15)30-24-34-20(26)32-22(36-24)28-14-6-10-18(11-7-14)44(40,41)42/h1-12H,(H,37,38,39)(H,40,41,42)(H2,27,29,31,33,35)(H2,28,30,32,34,36)</moldb-inchi> <moldb-inchikey>XQRBBARMMCKAFB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">676.0229261</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.9</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>CHEM333815</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>4-[[4-chloro-6-[3-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzenesulfonic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0288351</sync-id> <structure-inchikey>XQRBBARMMCKAFB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000000000000000000000000000100000000000000000000000000000001004000020001002000000000000000000000000000100000000000000000400000008000000020000020000000000001001000000000000000000000010000000010000000100000000000002000000000000000000000000001000000000000800000000000000080000000800000000000000000000000000000000000004000000000080000000000000000000000088000000000080000000000000220000000000080000000000010000000000000000200000000000000000000000001000040000000020000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAsAAAAMAAAAIABBkBoAAAAAwMBBkBoAAAA AwMBBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQcAaAAAAAMC AQZAKAAAAAMEB0AoAAAAAwMGQCgAAAADBAdAKAAAAAMDBkAoAAAAAwQHQCgA AAADAwcAaAAAAAMCAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAA AwQGQGgAAAADAwEGQGgAAAADAwEQACAAAAAGCAAoAAAAAwIIACgAAAADAggA YAAAAAEBEQAgAAAAAQcAaAAAAAMCAQZAKAAAAAMEB0AoAAAAAwMGQCgAAAAD BAdAKAAAAAMDBkAoAAAAAwQHQCgAAAADAwcAaAAAAAMCAQZAKAAAAAMEBkBo AAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEQACAA AAAGCAAoAAAAAwIIACgAAAADAggAYAAAAAEBEQAgAAAAAQsAAWgMAQJoDAID aAwDBGgMBAVoDAQGIAYHIAcIaAwICWgMCQpoDAoLaAwLDGgMCw0gDQ4gDg9o DA8QaAwQEWgMERJoDBITaAwRFAAUFQgCFBYIAhQXAAkYAAIZIBkaIBobaAwb HGgMHB1oDB0eaAweH2gMHiAgICEgISJoDCIjaAwjJGgMJCVoDCUmaAwkJwAn KAgCJykIAicqABwrAAUAaAwMB2gMEw5oDB8aaAwmIWgMQgUAAAAGAAUEAwIB BggJCgsMBwYPEBESEw4GGxwdHh8aBiIjJCUmIRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:38:51Z</structure-indexed-at> </compound>