CHEBI:77423 - escitalopram hydrobromide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name escitalopram hydrobromide
ChEBI ID CHEBI:77423
Definition A 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide resulting from the reaction of equimolar amounts of escitalopram and hydrogen bromide.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C20H22BrFN2O
Net Charge 0
Average Mass 405.30400
Monoisotopic Mass 404.08995
InChI InChI=1S/C20H21FN2O.BrH/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;1H/t20-;/m0./s1
InChIKey WIHMBLDNRMIGDW-BDQAORGHSA-N
SMILES Br.CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
Roles Classification
Biological Role(s): serotonin uptake inhibitor
A compound that specifically inhibits the reuptake of serotonin in the brain. This increases the serotonin concentration in the synaptic cleft which then activates serotonin receptors to a greater extent.
Application(s): serotonin uptake inhibitor
A compound that specifically inhibits the reuptake of serotonin in the brain. This increases the serotonin concentration in the synaptic cleft which then activates serotonin receptors to a greater extent.
antidepressant
Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing escitalopram hydrobromide (CHEBI:77423) has role antidepressant (CHEBI:35469)
escitalopram hydrobromide (CHEBI:77423) has role serotonin uptake inhibitor (CHEBI:50949)
escitalopram hydrobromide (CHEBI:77423) is a 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide (CHEBI:77420)
escitalopram hydrobromide (CHEBI:77423) is enantiomer of (R)-citalopram hydrobromide (CHEBI:77422)
Incoming citalopram hydrobromide (CHEBI:3724) has part escitalopram hydrobromide (CHEBI:77423)
(R)-citalopram hydrobromide (CHEBI:77422) is enantiomer of escitalopram hydrobromide (CHEBI:77423)
IUPAC Name
(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide
Synonyms Sources
(S)-citalopram hydrobromide ChEBI
3-[(1S)-5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium bromide IUPAC
escitalopram HBr ChEBI
escitalopram·HBr ChEBI
Manual Xrefs Databases
EP1578738 Patent
US2005137255 Patent
WO2004056791 Patent
View more database links
Registry Number Type Source
11324772 Reaxys Registry Number Reaxys
Last Modified
21 February 2014