339079 <common-name>7-[[2-(carbamoylamino)-4-[[4-chloro-6-[2-(2-hydroxyethoxy)ethylamino]-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-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid has the chemical formula C24H24ClN9O12S3. With an average molecular weight of 762.20 g/mol, 7-[[2-(carbamoylamino)-4-[[4-chloro-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid is a heavy molecule.</description> <cas>136816-57-4</cas> <pubchem-id>56984440</pubchem-id> <chemical-formula>C24H24ClN9O12S3</chemical-formula> <weight>762.2</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">2026-08-30T22:17:51Z</created-at> <updated-at type="dateTime">2026-08-30T22:17:51Z</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)NCCOCCO)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>C24H24ClN9O12S3</moldb-formula> <moldb-inchi>InChI=1S/C24H24ClN9O12S3/c25-21-30-23(27-3-5-46-6-4-35)32-24(31-21)28-13-1-2-16(17(9-13)29-22(26)36)33-34-18-11-15-12(8-20(18)49(43,44)45)7-14(47(37,38)39)10-19(15)48(40,41)42/h1-2,7-11,35H,3-6H2,(H3,26,29,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H2,27,28,30,31,32)</moldb-inchi> <moldb-inchikey>ADKMSYZQNNCRMU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">761.0395084</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.2</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>CHEM334972</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-[[2-(carbamoylamino)-4-[[4-chloro-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic 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>CED0289504</sync-id> <structure-inchikey>ADKMSYZQNNCRMU-UHFFFAOYSA-N</structure-inchikey> 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