337796 <common-name>3-[[1-(2,5-disulfophenyl)-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]-7-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-1,5-disulfonic acid</common-name> <description>3-[[1-(2,5-disulfophenyl)-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]-7-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-1,5-disulfonic acid has the chemical formula C24H16Cl3N7O13S4. With an average molecular weight of 845.00 g/mol, 3-[[1-(2,5-disulfophenyl)-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]-7-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-1,5-disulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>44148418</pubchem-id> <chemical-formula>C24H16Cl3N7O13S4</chemical-formula> <weight>845</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">2026-08-30T20:45:39Z</created-at> <updated-at type="dateTime">2026-08-30T20:45:39Z</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=NN(C(=O)C1N=NC2=CC3=C(C=C(C=C3S(=O)(=O)O)NC4=C(C(=NC(=N4)Cl)Cl)Cl)C(=C2)S(=O)(=O)O)C5=C(C=CC(=C5)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles> <moldb-formula>C24H16Cl3N7O13S4</moldb-formula> <moldb-inchi>InChI=1S/C24H16Cl3N7O13S4/c1-9-20(23(35)34(33-9)15-8-12(48(36,37)38)2-3-16(15)49(39,40)41)32-31-11-5-14-13(18(7-11)51(45,46)47)4-10(6-17(14)50(42,43)44)28-22-19(25)21(26)29-24(27)30-22/h2-8,20H,1H3,(H,28,29,30)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)</moldb-inchi> <moldb-inchikey>XKPMSUUTDBUCFU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">842.875451</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.3</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>CHEM333689</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>3-[[1-(2,5-disulfophenyl)-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]-7-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-1,5-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>CED0288225</sync-id> <structure-inchikey>XKPMSUUTDBUCFU-UHFFFAOYSA-N</structure-inchikey> 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