45177 <common-name>4,4'-Ethane-1,2-diylbis(8,9-dibromo-4-azatricyclo[5.2.1.02,6]decane-3,5-dione)</common-name> <description nil="true"/> <cas>52907-07-0</cas> <pubchem-id>93281</pubchem-id> <chemical-formula>C20H20Br4N2O4</chemical-formula> <weight>672.0</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">2016-06-03T11:39:24Z</created-at> <updated-at type="dateTime">2026-04-17T17:33:41Z</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>BrC1C(Br)C2CC1C1C2C(=O)N(CCN2C(=O)C3C4CC(C(Br)C4Br)C3C2=O)C1=O</moldb-smiles> <moldb-formula>C20H20Br4N2O4</moldb-formula> <moldb-inchi>InChI=1S/C20H20Br4N2O4/c21-13-5-3-6(14(13)22)10-9(5)17(27)25(18(10)28)1-2-26-19(29)11-7-4-8(12(11)20(26)30)16(24)15(7)23/h5-16H,1-4H2</moldb-inchi> <moldb-inchikey>WOFYQUJNULCFLN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">672.006</moldb-average-mass> <moldb-mono-mass type="decimal">667.815659</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>84213</chemspider-id> <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>CHEM044072</chemdb-id> <dsstox-id>DTXSID6052168</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>Howard & Muir 2010 EST</stoff-ident-origin> <stoff-ident-id>SI00004929</stoff-ident-id> <susdat-id>NS00001724</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>74.76</moldb-polar-surface-area> <moldb-refractivity>120.76479999999995</moldb-refractivity> <moldb-polarizability>50.857814074942965</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-5.522041509842045</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>6</moldb-number-of-rings> <moldb-alogps-logp>3.40</moldb-alogps-logp> <moldb-alogps-logs>-4.93</moldb-alogps-logs> <moldb-alogps-solubility>7.96e-03 g/l</moldb-alogps-solubility> </compound>