330452 <common-name>7-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)methylamino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid</common-name> <description>7-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)methylamino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid is a chemical compound with the formula C22H19ClN6O9S2. With an average molecular weight of 611.00 g/mol, 7-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)methylamino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>135853687</pubchem-id> <chemical-formula>C22H19ClN6O9S2</chemical-formula> <weight>611</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">2026-08-30T11:01:23Z</created-at> <updated-at type="dateTime">2026-08-30T11:01:23Z</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>COC1=CC(=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NCC4=NC(=NC(=N4)Cl)OC)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles> <moldb-formula>C22H19ClN6O9S2</moldb-formula> <moldb-inchi>InChI=1S/C22H19ClN6O9S2/c1-37-13-4-6-15(16(9-13)39(31,32)33)28-29-19-17(40(34,35)36)8-11-7-12(3-5-14(11)20(19)30)24-10-18-25-21(23)27-22(26-18)38-2/h3-9,24,30H,10H2,1-2H3,(H,31,32,33)(H,34,35,36)</moldb-inchi> <moldb-inchikey>CWQLELNUALFJKY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">610.0343462</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</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>CHEM326345</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-chloro-6-methoxy-1,3,5-triazin-2-yl)methylamino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)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>CED0281000</sync-id> <structure-inchikey>CWQLELNUALFJKY-UHFFFAOYSA-N</structure-inchikey> 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