320434 <common-name>7-[[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]diazenyl]naphthalene-1,3,5-trisulfonic acid</common-name> <description>7-[[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]diazenyl]naphthalene-1,3,5-trisulfonic acid is a chemical compound with the formula C20H13Cl2N5O9S3. With an average molecular weight of 634.50 g/mol, 7-[[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]diazenyl]naphthalene-1,3,5-trisulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>172883</pubchem-id> <chemical-formula>C20H13Cl2N5O9S3</chemical-formula> <weight>634.5</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">2026-08-29T19:20:14Z</created-at> <updated-at type="dateTime">2026-08-29T19:20:14Z</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=C1NC2=CC(=NC(=N2)Cl)Cl)N=NC3=CC4=C(C=C(C=C4S(=O)(=O)O)S(=O)(=O)O)C(=C3)S(=O)(=O)O</moldb-smiles> <moldb-formula>C20H13Cl2N5O9S3</moldb-formula> <moldb-inchi>InChI=1S/C20H13Cl2N5O9S3/c21-18-9-19(25-20(22)24-18)23-10-1-3-11(4-2-10)26-27-12-5-14-15(16(6-12)38(31,32)33)7-13(37(28,29)30)8-17(14)39(34,35)36/h1-9H,(H,23,24,25)(H,28,29,30)(H,31,32,33)(H,34,35,36)</moldb-inchi> <moldb-inchikey>VSJWITJHNGRRAE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">632.9252459</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</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>CHEM316327</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-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]diazenyl]naphthalene-1,3,5-trisulfonic 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>CED0271178</sync-id> <structure-inchikey>VSJWITJHNGRRAE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000000000000000000000000100201000000000000000200000000005000000020000002000800000000000100000000000100000000000000000400000008020000020000020000000000000000004000000008000000000010000000810000000100000000000003000000000000000000000000000000000000000001000000000000080000000000000000000800000040000000000000000004000040000080000000000000000000000088000000000080800000000000100000000000000000000000090000000000000000202000000200000000000000003000048000000000100000000000000000000020000000000</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�B������������� �������!"������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:25:36Z</structure-indexed-at> </compound>