325683 <common-name>7-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid</common-name> <description>7-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid is a chemical compound with the formula C21H17ClN6O8S2. With an average molecular weight of 581.00 g/mol, 7-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>172893</pubchem-id> <chemical-formula>C21H17ClN6O8S2</chemical-formula> <weight>581</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">2026-08-30T03:35:45Z</created-at> <updated-at type="dateTime">2026-08-30T03:35:45Z</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>CN(C1=CC2=CC(=C(C(=C2C=C1)O)N=NC3=CC=CC=C3S(=O)(=O)O)S(=O)(=O)O)C4=NC(=NC(=N4)Cl)OC</moldb-smiles> <moldb-formula>C21H17ClN6O8S2</moldb-formula> <moldb-inchi>InChI=1S/C21H17ClN6O8S2/c1-28(20-23-19(22)24-21(25-20)36-2)12-7-8-13-11(9-12)10-16(38(33,34)35)17(18(13)29)27-26-14-5-3-4-6-15(14)37(30,31)32/h3-10,29H,1-2H3,(H,30,31,32)(H,33,34,35)</moldb-inchi> <moldb-inchikey>XVLZWNIAFCJTOG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">580.0237816</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>CHEM321576</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-methoxy-1,3,5-triazin-2-yl)-methylamino]-4-hydroxy-3-[(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>CED0276312</sync-id> <structure-inchikey>XVLZWNIAFCJTOG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000000000000100000000000000002000000000000002000000000008000000000200000020008000000000000000002000000000000000000000004000000080000020200000200000000001080000040000000000000000000100000008400000001040000000000030000004800000008000000000000000400000008080000000000000001000000001000000000000000000000000000400000048000400002800010041000000000000000800034000000000a0040000000000002000000000000000400010000000010004100200000000000000000000000001004040000000000000000000000000000000000800000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������&���)���€���`�������(������@(������@h�������@(������@h�������@(������@(������@(������@(������@h�������@h��������h��������(�������(������@(������@h�������@h�������@h�������@h�������@(������� ������(�������(�������`������� ������(�������(�������`������@(������@(������@(������@(������@(������@(������� ������(�������`����������� ��h���h���h���h���h���h�� 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">2026-09-19T05:29:32Z</structure-indexed-at> </compound>