354046 <common-name>3-bromo-5-[[4-(3-bromo-2,4-diethyl-6-methyl-5-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]-2,4-diethyl-6-methylbenzenesulfonic acid</common-name> <description>3-bromo-5-[[4-(3-bromo-2,4-diethyl-6-methyl-5-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]-2,4-diethyl-6-methylbenzenesulfonic acid is a chemical compound with the formula C36H36Br2N2O8S2. With an average molecular weight of 848.60 g/mol, 3-bromo-5-[[4-(3-bromo-2,4-diethyl-6-methyl-5-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]-2,4-diethyl-6-methylbenzenesulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>44148195</pubchem-id> <chemical-formula>C36H36Br2N2O8S2</chemical-formula> <weight>848.6</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">2026-08-31T21:20:01Z</created-at> <updated-at type="dateTime">2026-08-31T21:20:01Z</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>CCC1=C(C(=C(C(=C1NC2=C3C(=C(C=C2)NC4=C(C(=C(C(=C4CC)Br)CC)S(=O)(=O)O)C)C(=O)C5=CC=CC=C5C3=O)C)S(=O)(=O)O)CC)Br</moldb-smiles> <moldb-formula>C36H36Br2N2O8S2</moldb-formula> <moldb-inchi>InChI=1S/C36H36Br2N2O8S2/c1-7-19-29(37)21(9-3)35(49(43,44)45)17(5)31(19)39-25-15-16-26(28-27(25)33(41)23-13-11-12-14-24(23)34(28)42)40-32-18(6)36(50(46,47)48)22(10-4)30(38)20(32)8-2/h11-16,39-40H,7-10H2,1-6H3,(H,43,44,45)(H,46,47,48)</moldb-inchi> <moldb-inchikey>NZMNQGUWGSJELP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">846.02798</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>8.7</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>CHEM349939</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-bromo-5-[[4-(3-bromo-2,4-diethyl-6-methyl-5-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]-2,4-diethyl-6-methylbenzenesulfonic 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>Anthracenes</klass> <subklass>Anthraquinones</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0304328</sync-id> <structure-inchikey>NZMNQGUWGSJELP-UHFFFAOYSA-N</structure-inchikey> 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