342140 <common-name>2-[[4-fluoro-6-[methyl-[2-(2-sulfooxyethylsulfonyl)ethyl]amino]-1,3,5-triazin-2-yl]amino]-5-hydroxy-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-1,7-disulfonic acid</common-name> <description>2-[[4-fluoro-6-[methyl-[2-(2-sulfooxyethylsulfonyl)ethyl]amino]-1,3,5-triazin-2-yl]amino]-5-hydroxy-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-1,7-disulfonic acid has the chemical formula C25H26FN7O16S5. With an average molecular weight of 859.80 g/mol, 2-[[4-fluoro-6-[methyl-[2-(2-sulfooxyethylsulfonyl)ethyl]amino]-1,3,5-triazin-2-yl]amino]-5-hydroxy-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-1,7-disulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>136092731</pubchem-id> <chemical-formula>C25H26FN7O16S5</chemical-formula> <weight>859.8</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">2026-08-31T02:59:26Z</created-at> <updated-at type="dateTime">2026-08-31T02:59:26Z</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=CC(=C(C=C1)N=NC2=C(C=C3C(=C2O)C=CC(=C3S(=O)(=O)O)NC4=NC(=NC(=N4)F)N(C)CCS(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles> <moldb-formula>C25H26FN7O16S5</moldb-formula> <moldb-inchi>InChI=1S/C25H26FN7O16S5/c1-13-3-5-16(18(11-13)51(37,38)39)31-32-20-19(52(40,41)42)12-15-14(21(20)34)4-6-17(22(15)53(43,44)45)27-24-28-23(26)29-25(30-24)33(2)7-9-50(35,36)10-8-49-54(46,47)48/h3-6,11-12,34H,7-10H2,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,27,28,29,30)</moldb-inchi> <moldb-inchikey>JBVCOMJOBTYBFE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">859.0023618</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.9</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>CHEM338033</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-[[4-fluoro-6-[methyl-[2-(2-sulfooxyethylsulfonyl)ethyl]amino]-1,3,5-triazin-2-yl]amino]-5-hydroxy-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-1,7-disulfonic 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>CED0292532</sync-id> <structure-inchikey>JBVCOMJOBTYBFE-UHFFFAOYSA-N</structure-inchikey> 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������(�������(�������`������� ������(�������(�������`�����������h���h���h���h���h��� ��(�� h� �h���h�� h� �h��� �h���h���h���h����������������� �� ��h���h���h���h���h����� !� "�"#�#$�$%��$&��$'�'(�()�)*�*+��*,��*-� .�./��.0��.1��2�23��24��25���h�� h���h���h�B������������ �� � ������ �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:41:53Z</structure-indexed-at> </compound>