45337 <common-name>Eslicarbazepine acetate</common-name> <description nil="true"/> <cas>236395-14-5</cas> <pubchem-id>179344</pubchem-id> <chemical-formula>C17H16N2O3</chemical-formula> <weight nil="true"/> <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">2016-06-03T11:54:13Z</created-at> <updated-at type="dateTime">2026-05-14T19:02:40Z</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>DB09119</drugbank-id> <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(=O)O[C@H]1CC2=CC=CC=C2N(C(N)=O)C2=CC=CC=C12</moldb-smiles> <moldb-formula>C17H16N2O3</moldb-formula> <moldb-inchi>InChI=1S/C17H16N2O3/c1-11(20)22-16-10-12-6-2-4-8-14(12)19(17(18)21)15-9-5-3-7-13(15)16/h2-9,16H,10H2,1H3,(H2,18,21)/t16-/m0/s1</moldb-inchi> <moldb-inchikey>QIALRBLEEWJACW-INIZCTEOSA-N</moldb-inchikey> <moldb-average-mass type="decimal">296.326</moldb-average-mass> <moldb-mono-mass type="decimal">296.116092383</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.17</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>156110</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>CHEM044232</chemdb-id> <dsstox-id>DTXSID90178308</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>UBA</stoff-ident-origin> <stoff-ident-id>SI00005367</stoff-ident-id> <susdat-id>NS00010246</susdat-id> <iupac>(9S)-2-carbamoyl-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-9-yl acetate</iupac> <moldb-polar-surface-area>72.63000000000001</moldb-polar-surface-area> <moldb-refractivity>81.43840000000003</moldb-refractivity> <moldb-polarizability>30.191532895148384</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>15.959561404853869</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-3.7568349070994844</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>1.99</moldb-alogps-logp> <moldb-alogps-logs>-3.43</moldb-alogps-logs> <moldb-alogps-solubility>1.10e-01 g/l</moldb-alogps-solubility> </compound>