348956 <common-name>7-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid</common-name> <description>7-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid has the chemical formula C29H19ClN8O10S2. With an average molecular weight of 739.10 g/mol, 7-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>136056804</pubchem-id> <chemical-formula>C29H19ClN8O10S2</chemical-formula> <weight>739.1</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">2026-08-31T13:15:30Z</created-at> <updated-at type="dateTime">2026-08-31T13:15:30Z</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=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=CC4=CC(=C(C(=C4C=C3)O)N=NC5=C6C=CC(=CC6=C(C=C5O)S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O</moldb-smiles> <moldb-formula>C29H19ClN8O10S2</moldb-formula> <moldb-inchi>InChI=1S/C29H19ClN8O10S2/c30-27-33-28(31-15-4-2-1-3-5-15)35-29(34-27)32-16-6-8-18-14(10-16)11-23(50(46,47)48)25(26(18)40)37-36-24-19-9-7-17(38(41)42)12-20(19)22(13-21(24)39)49(43,44)45/h1-13,39-40H,(H,43,44,45)(H,46,47,48)(H2,31,32,33,34,35)</moldb-inchi> <moldb-inchikey>GALGIDKQNRVNLR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">738.0354089</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.6</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>CHEM344849</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-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-6-nitro-4-sulfonaphthalen-1-yl)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>CED0299283</sync-id> <structure-inchikey>GALGIDKQNRVNLR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000001000000000000000000000000000180200000000000000000000000000000024000020000002004800000000000000000000000100000000000000000400000008000002020000020000000000001001004000000408000000000010000000a10000000100000000000003000000400000000000000000000000000000000800000000000000080000000801100000000000000000020000000000000006800040000080000000900000000000000080000410000090020040000000220002100000000000000400010000000000004000200000000000000420000000001000040000000020000000800001000000000000000000000</structure-fingerprint> 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*��������(������ *���ÿ���� ������(�������(�������`��������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�%& #'�'(��')��'*� + +,(�+- �.�./��.0��.1���h���h���h���h�%�h�"�h�B������������� �������������������� !"��#$%��"����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:47:10Z</structure-indexed-at> </compound>