347686 <common-name>4-amino-3-[[5-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]-2-sulfophenyl]diazenyl]-6-[(2,5-disulfophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid</common-name> <description>4-amino-3-[[5-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]-2-sulfophenyl]diazenyl]-6-[(2,5-disulfophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid is a chemical compound with the formula C28H23ClN8O18S6. With an average molecular weight of 987.40 g/mol, 4-amino-3-[[5-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]-2-sulfophenyl]diazenyl]-6-[(2,5-disulfophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>135666624</pubchem-id> <chemical-formula>C28H23ClN8O18S6</chemical-formula> <weight>987.4</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">2026-08-31T11:29:19Z</created-at> <updated-at type="dateTime">2026-08-31T11:29:19Z</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>CC1=C(C(=NC(=N1)S(=O)(=O)C)NC2=CC(=C(C=C2)S(=O)(=O)O)N=NC3=C(C=C4C=C(C(=C(C4=C3N)O)N=NC5=C(C=CC(=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Cl</moldb-smiles> <moldb-formula>C28H23ClN8O18S6</moldb-formula> <moldb-inchi>InChI=1S/C28H23ClN8O18S6/c1-11-22(29)27(33-28(31-11)56(2,39)40)32-13-3-5-17(58(44,45)46)15(9-13)34-36-24-19(60(50,51)52)7-12-8-20(61(53,54)55)25(26(38)21(12)23(24)30)37-35-16-10-14(57(41,42)43)4-6-18(16)59(47,48)49/h3-10,38H,30H2,1-2H3,(H,31,32,33)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)</moldb-inchi> <moldb-inchikey>LBSQCJIAEMKDLP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">985.9143106</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.7</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>CHEM343579</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>4-amino-3-[[5-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]-2-sulfophenyl]diazenyl]-6-[(2,5-disulfophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic 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>CED0298024</sync-id> <structure-inchikey>LBSQCJIAEMKDLP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000000800000000000000000000020100202000000000000000100000000001004000020000002000800000000000000000000000100000000000000000400001008002002020008020000000000800081004000000010000000000010000000810000000100080000000001200000400000008000010008000000048000000000000000000000080001000020000000000000000000008000000000000000800000000080001000000000000004000088001000000008000040000000200002000000000000200400010000002002000000200000000000000040000000041000040000000000000000000000000008000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������=���A���€���`������@(������@(������@(������@(������@(������@(������� ������(�������(�������`�������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�*+h�*,�,-��,.��,/�'0�01��02��03��4�45��46��47��8�89��8:��8;��<���h���h�!�h� �h�+&h�B������������ ��������� !������ ��'()*+&����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:46:14Z</structure-indexed-at> </compound>