45561 <common-name>7,7,9(or 7,9,9)-trimethyl-4,13-dioxo-3,14-dioxa-5,12-diazahexadecane-1,16-diyl bismethacrylate</common-name> <description nil="true"/> <cas>72869-86-4</cas> <pubchem-id>170472</pubchem-id> <chemical-formula>C23H38N2O8</chemical-formula> <weight>470.6</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">2016-06-03T12:15:54Z</created-at> <updated-at type="dateTime">2026-04-17T18:55:01Z</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>CC(CCN=C(O)OCCOC(=O)C(C)=C)CC(C)(C)CN=C(O)OCCOC(=O)C(C)=C</moldb-smiles> <moldb-formula>C23H38N2O8</moldb-formula> <moldb-inchi>InChI=1S/C23H38N2O8/c1-16(2)19(26)30-10-12-32-21(28)24-9-8-18(5)14-23(6,7)15-25-22(29)33-13-11-31-20(27)17(3)4/h18H,1,3,8-15H2,2,4-7H3,(H,24,28)(H,25,29)</moldb-inchi> <moldb-inchikey>UEKHZPDUBLCUHN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">470.563</moldb-average-mass> <moldb-mono-mass type="decimal">470.262816192</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>149043</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>CHEM044456</chemdb-id> <dsstox-id>DTXSID70866034</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006388</stoff-ident-id> <susdat-id>NS00006993</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>136.24</moldb-polar-surface-area> <moldb-refractivity>122.6121</moldb-refractivity> <moldb-polarizability>51.86621913564129</moldb-polarizability> <moldb-rotatable-bond-count>19</moldb-rotatable-bond-count> <moldb-acceptor-count>8</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>4.123004831495752</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>2.9443974869465497</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>2.94</moldb-alogps-logp> <moldb-alogps-logs>-5.39</moldb-alogps-logs> <moldb-alogps-solubility>1.90e-03 g/l</moldb-alogps-solubility> </compound>