330605 <common-name>7-[[2-(carbamoylamino)-4-[[4-chloro-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid</common-name> <description>7-[[2-(carbamoylamino)-4-[[4-chloro-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid has the chemical formula C22H20ClN9O13S4. With an average molecular weight of 782.20 g/mol, 7-[[2-(carbamoylamino)-4-[[4-chloro-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>23520399</pubchem-id> <chemical-formula>C22H20ClN9O13S4</chemical-formula> <weight>782.2</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">2026-08-30T11:14:57Z</created-at> <updated-at type="dateTime">2026-08-30T11:14:57Z</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=C1NC2=NC(=NC(=N2)NCCS(=O)(=O)O)Cl)NC(=O)N)N=NC3=CC4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles> <moldb-formula>C22H20ClN9O13S4</moldb-formula> <moldb-inchi>InChI=1S/C22H20ClN9O13S4/c23-19-28-21(25-3-4-46(34,35)36)30-22(29-19)26-11-1-2-14(15(7-11)27-20(24)33)31-32-16-9-13-10(6-18(16)49(43,44)45)5-12(47(37,38)39)8-17(13)48(40,41)42/h1-2,5-9H,3-4H2,(H3,24,27,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H2,25,26,28,29,30)</moldb-inchi> 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<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>CED0281153</sync-id> <structure-inchikey>GYBMNZQNQPEYPI-UHFFFAOYSA-N</structure-inchikey> 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