325187 <common-name>6-[(3,6-dichloropyridazine-4-carbonyl)amino]-4-hydroxy-3-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid</common-name> <description>6-[(3,6-dichloropyridazine-4-carbonyl)amino]-4-hydroxy-3-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid is a chemical compound with the formula C21H13Cl2N5O8S2. With an average molecular weight of 598.40 g/mol, 6-[(3,6-dichloropyridazine-4-carbonyl)amino]-4-hydroxy-3-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid is a heavy molecule.</description> <cas>6694-64-0</cas> <pubchem-id>81193</pubchem-id> <chemical-formula>C21H13Cl2N5O8S2</chemical-formula> <weight>598.4</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">2026-08-30T02:52:26Z</created-at> <updated-at type="dateTime">2026-08-30T02:52:26Z</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>C1=CC(=CC=C1N=NC2=C(C=C3C=CC(=CC3=C2O)NC(=O)C4=CC(=NN=C4Cl)Cl)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles> <moldb-formula>C21H13Cl2N5O8S2</moldb-formula> <moldb-inchi>InChI=1S/C21H13Cl2N5O8S2/c22-17-9-15(20(23)28-26-17)21(30)24-12-2-1-10-7-16(38(34,35)36)18(19(29)14(10)8-12)27-25-11-3-5-13(6-4-11)37(31,32)33/h1-9,29H,(H,24,30)(H,31,32,33)(H,34,35,36)</moldb-inchi> <moldb-inchikey>QEGZDILPMJSNCK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">596.9582601</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.8</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>CHEM321080</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-[(3,6-dichloropyridazine-4-carbonyl)amino]-4-hydroxy-3-[(4-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>CED0275830</sync-id> <structure-inchikey>QEGZDILPMJSNCK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000010000000008100300000000000004000000000000001000010020001002000800000000000000000000002000000000000000000400000008000002020000020000000000000001004000000000000000000110000000811000000100000000000201000000400000000000000000000000000000000000000000100000080080000000000000000000000000000000000000000000800040000080000000000000000000000098000400000000000040100000100002000000000000000400090000000000000000202000000000000008000000003000040000000000400000000000000200100000000000000</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���h���h�B������������ ������ ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:29:09Z</structure-indexed-at> </compound>