356212 <common-name>2-[[16-benzoyl-8,15-dioxo-10-(4-sulfoanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-12-yl]oxy]-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid</common-name> <description>2-[[16-benzoyl-8,15-dioxo-10-(4-sulfoanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-12-yl]oxy]-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid has the chemical formula C43H38N2O10S2. With an average molecular weight of 806.90 g/mol, 2-[[16-benzoyl-8,15-dioxo-10-(4-sulfoanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-12-yl]oxy]-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid is a heavy molecule.</description> <cas>328405-23-8</cas> <pubchem-id>20599368</pubchem-id> <chemical-formula>C43H38N2O10S2</chemical-formula> <weight>806.9</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">2026-09-01T01:28:30Z</created-at> <updated-at type="dateTime">2026-09-01T01:28:30Z</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>CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OC2=C3C4=C(C(=C2)NC5=CC=C(C=C5)S(=O)(=O)O)C(=O)C6=CC=CC=C6C4=C(C(=O)N3)C(=O)C7=CC=CC=C7)S(=O)(=O)O</moldb-smiles> <moldb-formula>C43H38N2O10S2</moldb-formula> <moldb-inchi>InChI=1S/C43H38N2O10S2/c1-42(2,3)23-43(4,5)25-15-20-31(33(21-25)57(52,53)54)55-32-22-30(44-26-16-18-27(19-17-26)56(49,50)51)35-36-34(28-13-9-10-14-29(28)40(35)47)37(41(48)45-38(32)36)39(46)24-11-7-6-8-12-24/h6-22,44H,23H2,1-5H3,(H,45,48)(H,49,50,51)(H,52,53,54)</moldb-inchi> <moldb-inchikey>JWHWRYLEWNETCA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">806.1967878</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>8.1</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>CHEM352105</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>2-[[16-benzoyl-8,15-dioxo-10-(4-sulfoanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-12-yl]oxy]-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonic 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>Organoheterocyclic compounds</superklass> <klass>Quinolines and derivatives</klass> <subklass>4-aroylquinolines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0306462</sync-id> <structure-inchikey>JWHWRYLEWNETCA-UHFFFAOYSA-N</structure-inchikey> 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