325501 <common-name>6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid</common-name> <description>6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid has the chemical formula C21H16Cl2N6O10S3. With an average molecular weight of 679.50 g/mol, 6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid is a heavy molecule.</description> <cas>117715-57-8</cas> <pubchem-id>136613961</pubchem-id> <chemical-formula>C21H16Cl2N6O10S3</chemical-formula> <weight>679.5</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">2026-08-30T03:17:29Z</created-at> <updated-at type="dateTime">2026-08-30T03:17:29Z</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=C1N=NC2=C(C=C3C=CC(=CC3=C2O)NC4=NC(=NC(=N4)Cl)Cl)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O</moldb-smiles> <moldb-formula>C21H16Cl2N6O10S3</moldb-formula> <moldb-inchi>InChI=1S/C21H16Cl2N6O10S3/c22-19-25-20(23)27-21(26-19)24-13-2-1-11-9-16(41(33,34)35)17(18(30)15(11)10-13)29-28-12-3-5-14(6-4-12)40(31,32)8-7-39-42(36,37)38/h1-6,9-10,30H,7-8H2,(H,33,34,35)(H,36,37,38)(H,24,25,26,27)</moldb-inchi> <moldb-inchikey>OGTXZUIXZCPBCO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">677.9467096</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.4</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>CHEM321394</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>6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]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>CED0276138</sync-id> <structure-inchikey>OGTXZUIXZCPBCO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000100000000801000000000000000000000000100300000000004000000000000000001004080020000002000800000000000000000000040100800000000000000400000008000002020000020000000000100001004000000000000000000010000000810000000100000000000203000000400002000000000000000400000000000000000000000000480000200000000000000000000000000000000000000004800040000080000000000000000000000090000400000000000040000000320012000000000000000400090000000000000000200000000000000000000000003000040000000020000000000000000000000000000000000</structure-fingerprint> 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h� �h���h�� h� �h���h���h���h��� �� �� ��h���h���h���h���h������� �������������� � !�� "�� #�#$�$%�%&�&'��&(��&)���h���h���h���h�B������������ ������ ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:29:23Z</structure-indexed-at> </compound>