47041 <common-name>Citalopram, Didesmethy</common-name> <description nil="true"/> <cas>166037-78-1</cas> <pubchem-id>40582667</pubchem-id> <chemical-formula>C18H17FN2O</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">2016-06-03T13:49:52Z</created-at> <updated-at type="dateTime">2026-03-27T01:34:33Z</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>NCCC[C@]1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1</moldb-smiles> <moldb-formula>C18H17FN2O</moldb-formula> <moldb-inchi>InChI=1S/C18H17FN2O/c19-16-5-3-15(4-6-16)18(8-1-9-20)17-7-2-13(11-21)10-14(17)12-22-18/h2-7,10H,1,8-9,12,20H2/t18-/m0/s1</moldb-inchi> <moldb-inchikey>RKUKMUWCRLRPEJ-SFHVURJKSA-N</moldb-inchikey> <moldb-average-mass type="decimal">296.345</moldb-average-mass> <moldb-mono-mass type="decimal">296.132491338</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>23935928</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>CHEM045936</chemdb-id> <dsstox-id>DTXSID30168066</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>NIVA/Waters</stoff-ident-origin> <stoff-ident-id>SI00009246</stoff-ident-id> <susdat-id>NS00007414</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>59.040000000000006</moldb-polar-surface-area> <moldb-refractivity>83.9509</moldb-refractivity> <moldb-polarizability>31.162726210205747</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>10.201573413246082</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>2.69</moldb-alogps-logp> <moldb-alogps-logs>-4.75</moldb-alogps-logs> <moldb-alogps-solubility>5.25e-03 g/l</moldb-alogps-solubility> </compound>