333986 <common-name>7-[(4-amino-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-amino-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 C23H15ClN8O10S2. With an average molecular weight of 663.00 g/mol, 7-[(4-amino-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>135850414</pubchem-id> <chemical-formula>C23H15ClN8O10S2</chemical-formula> <weight>663</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">2026-08-30T15:33:48Z</created-at> <updated-at type="dateTime">2026-08-30T15:33:48Z</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=CC2=C(C(=C(C=C2C=C1NC3=NC(=NC(=N3)N)Cl)S(=O)(=O)O)N=NC4=C5C=CC(=CC5=C(C=C4O)S(=O)(=O)O)[N+](=O)[O-])O</moldb-smiles> <moldb-formula>C23H15ClN8O10S2</moldb-formula> <moldb-inchi>InChI=1S/C23H15ClN8O10S2/c24-21-27-22(25)29-23(28-21)26-10-1-3-12-9(5-10)6-17(44(40,41)42)19(20(12)34)31-30-18-13-4-2-11(32(35)36)7-14(13)16(8-15(18)33)43(37,38)39/h1-8,33-34H,(H,37,38,39)(H,40,41,42)(H3,25,26,27,28,29)</moldb-inchi> <moldb-inchikey>CXVIVGYWXRVCDR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">662.0041087</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.4</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>CHEM329879</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-amino-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>CED0284465</sync-id> <structure-inchikey>CXVIVGYWXRVCDR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000001000000000000000000000000000180200000000000000000000000000000024000020000002000800140000000000000000000100000000000000000400000008000002020000020000000000000001004000000408000000000010000000a1000000010000000000000300000040000000000000000000000000000000000000000000000008000100000100000000000800000002000000000000000680004000008000000090000000000c000080000410000010020040000000220002100000000000000400010000000000004000200000000000000420000000001000040000000020000000800001000000000000000000000</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���h�B������ ������������� ������������ !"�������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:35:57Z</structure-indexed-at> </compound>