escitalopram

Molecular Formula: C20H21FN2O


InChI: InChI=1/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1

InChIKey: InChIKey=WSEQXVZVJXJVFP-FQEVSTJZBT
SMILES: CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

CAS number 128196-01-0

Names:
    escitalopram
    S(+)-citalopram
    (S)-citalopram
    (1S)-1-(3-dimethylaminopropyl)-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile

Registries:
    PubChem CID 146570
    Beilstein =9001444
    CAS 128196-01-0 (from NIST)
    ChEBI 36791
    PubChem ID 10249284