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Escitalopram

CHEBI:CHEBI_36791

Definition

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.

Chemical Information

Molecular Formula
C20H21FN2O
Molecular Mass
324.39202
Charge
0
SMILES
CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
InChI
InChI=1S/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
WSEQXVZVJXJVFP-FQEVSTJZSA-N

Alternative Names

  • (+)-citalopram
  • (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
  • (S)-citalopram
  • escitalopram
  • escitalopramum
  • Esertia
  • S-(+)-citalopram
  • S(+)-citalopram

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

oboInOwl#hasDbXref
Wikipedia:Escitalopram
DRON_00010000
321988
core#notation
CHEBI:36791

Additional References

Wikipedia:Escitalopram

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#hasDbXref
Wikipedia:Escitalopram
DRON_00010000
321988
oboInOwl#id
CHEBI:36791
core#notation
CHEBI:36791
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_76779
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
BFO_0000053
http://purl.obolibrary.org/obo/DRON_00723854
chebi#is_enantiomer_of
http://purl.obolibrary.org/obo/CHEBI_36792
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_77406
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
has_treatment
http://purl.obolibrary.org/obo/DOID_6680
BFO_0000051
http://purl.obolibrary.org/obo/CHEBI_3723
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_77406
owl#someValuesFrom
t857648
owl#annotatedSource
t204224