347761 <common-name>7-[[4-(n-ethylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid</common-name> <description>7-[[4-(n-ethylanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid is a chemical compound with the formula C28H24FN7O8S2. With an average molecular weight of 669.70 g/mol, 7-[[4-(n-ethylanilino)-6-fluoro-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>166147</pubchem-id> <chemical-formula>C28H24FN7O8S2</chemical-formula> <weight>669.7</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">2026-08-31T11:34:18Z</created-at> <updated-at type="dateTime">2026-08-31T11:34:18Z</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>CCN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=CC4=CC(=C(C(=C4C=C3)O)N=NC5=C(C=C(C=C5)OC)S(=O)(=O)O)S(=O)(=O)O)F</moldb-smiles> <moldb-formula>C28H24FN7O8S2</moldb-formula> <moldb-inchi>InChI=1S/C28H24FN7O8S2/c1-3-36(18-7-5-4-6-8-18)28-32-26(29)31-27(33-28)30-17-9-11-20-16(13-17)14-23(46(41,42)43)24(25(20)37)35-34-21-12-10-19(44-2)15-22(21)45(38,39)40/h4-15,37H,3H2,1-2H3,(H,38,39,40)(H,41,42,43)(H,30,31,32,33)</moldb-inchi> <moldb-inchikey>UUAFTHZNMNUAIH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">669.1111813</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.8</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>CHEM343654</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-(n-ethylanilino)-6-fluoro-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>CED0298099</sync-id> <structure-inchikey>UUAFTHZNMNUAIH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000001008000000000020000000000000001802000000000000000000000820000002040000200000020048000000000000000000000001000000000008000000000000080000020200000200000100041100002040000000000000400000100000008500000001040000000000018000044000000000000000000000800400000008080000800400000800000000001000000000000000000000000000400000008000400000800000001000000000000000800034000000000a8040000000220002000000000040000400000000000000004000200000001000000000000000001000040000000220000800000000008000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAuAAAAMgAAAIABBgBgAAAAAQMGAGAAAAAC AgcAKAAAAAMDBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEG QGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAdAKAAAAAMDBkAoAAAAAwQHQCgA AAADAwZAKAAAAAMEB0AoAAAAAwMHAGgAAAADAgEGQCgAAAADBAZAaAAAAAMD AQZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQCgAAAADBAZAKAAAAAMEBkAo AAAAAwQGQGgAAAADAwEGQGgAAAADAwEIAGgAAAADAQEHACgAAAADAwcAKAAA AAMDBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMB BkBoAAAAAwMBCAAoAAAAAwIGAGAAAAABAxAAIAAAAAYIACgAAAADAggAKAAA AAMCCABgAAAAAQEQACAAAAAGCAAoAAAAAwIIACgAAAADAggAYAAAAAEBCQAg AAAAAQsAAQABAgACAyADBGgMBAVoDAUGaAwGB2gMBwhoDAIJIAkKaAwKC2gM CwxoDAwNaAwNDmgMDQ8gDxAgEBFoDBESaAwSE2gMExRoDBQVaAwVFmgMFhdo DBcYaAwYGWgMFhogFRsgGxwoAhwdIB0eaAweH2gMHyBoDCAhaAwhImgMICMg IyQAHiUAJSYIAiUnCAIlKAAUKQApKggCKSsIAiksAAstAAgDaAwOCWgMGRBo DBcSaAwiHWgMQgUAAAAGBAUGBwgDBgoLDA0OCQYREhcYGRAGExQVFhcSBh4f ICEiHRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:46:20Z</structure-indexed-at> </compound>