347750 <common-name>5-[[4-chloro-6-(4-methyl-2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-[(4,5-dimethyl-2-sulfophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid</common-name> <description>5-[[4-chloro-6-(4-methyl-2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-[(4,5-dimethyl-2-sulfophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid has the chemical formula C28H24ClN7O13S4. With an average molecular weight of 830.20 g/mol, 5-[[4-chloro-6-(4-methyl-2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-[(4,5-dimethyl-2-sulfophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>136029264</pubchem-id> <chemical-formula>C28H24ClN7O13S4</chemical-formula> <weight>830.2</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">2026-08-31T11:33:34Z</created-at> <updated-at type="dateTime">2026-08-31T11:33:34Z</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=CC(=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C(=C4O)N=NC5=C(C=C(C(=C5)C)C)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles> <moldb-formula>C28H24ClN7O13S4</moldb-formula> <moldb-inchi>InChI=1S/C28H24ClN7O13S4/c1-12-4-5-17(20(6-12)51(41,42)43)30-27-32-26(29)33-28(34-27)31-19-11-16(50(38,39)40)9-15-10-22(53(47,48)49)24(25(37)23(15)19)36-35-18-7-13(2)14(3)8-21(18)52(44,45)46/h4-11,37H,1-3H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,30,31,32,33,34)</moldb-inchi> <moldb-inchikey>LWZDHUFESVTWHS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">829.0003462</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.5</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>CHEM343643</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>5-[[4-chloro-6-(4-methyl-2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-[(4,5-dimethyl-2-sulfophenyl)diazenyl]-4-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>CED0298088</sync-id> <structure-inchikey>LWZDHUFESVTWHS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000010000010000000000000000000000000800008020000000100000000020000000000100000002000000200080000000000000000000000010010000000000101040000000800000202000002000000000000000000400000000000400000001000000080000000010000000000000300000040000000000000400800000004800000000000000000000008000000082000000008000000000004000000000000000480000000008010000000000020000000008800100000000000004000000020000200000000000000440001000000000a000000200000000080000000100000001800040000000020000000000000000008000000000000000</structure-fingerprint> 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������(�������(�������`������� ������(�������(�������`�����������h���h���h���h���h��� �� � h� h� �h���h�� h���� � �� ��h���h���h���h���h�����������������h���h���h���h��� �� � (� ! !"h�"#h�#$h�$%h�%&h�%'�$(�")�)*��)+��),��-�-.��-/��-0��1�12��13��14���h� �h���h���h�&!h�B������������ �� ����������������"#$%&!����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:46:19Z</structure-indexed-at> </compound>