Escitalopram
(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
Molecular Identity
Escitalopram
(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
PubChem CID: 146570
Escitalopram is a 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has S-configuration at the chiral centre. It is the active enantiomer of citalopram. It has a role as an antidepressant and an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor. It is a conjugate base of an escitalopram(1+). It is an enantiomer of a (R)-citalopram.
2D Structure
Properties
C20H21FN2O
Molecular Formula
324.40
Molecular Weight
g/mol
324.1638
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
36.3
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
466
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Escitalopram128196-01-0(S)-CitalopramS(+)-CitalopramS-(+)-Citalopram(+)-CitalopramEsertiaSeroplexCipralexEsitol(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrileescitalopramum4O4S742ANY5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, (1S)-(+)-(S)-1-(3-(Dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile
Data from PubChem (NCBI)
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Trials and conditions connected to Escitalopram
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