CHEBI:77422 - (R)-citalopram hydrobromide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (R)-citalopram hydrobromide
ChEBI ID CHEBI:77422
ChEBI ASCII Name (R)-citalopram hydrobromide
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 (R)-citalopram 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-;/m1./s1
InChIKey WIHMBLDNRMIGDW-VEIFNGETSA-N
SMILES Br.CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
ChEBI Ontology
Outgoing (R)-citalopram hydrobromide (CHEBI:77422) is a 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide (CHEBI:77420)
(R)-citalopram hydrobromide (CHEBI:77422) is enantiomer of escitalopram hydrobromide (CHEBI:77423)
Incoming citalopram hydrobromide (CHEBI:3724) has part (R)-citalopram hydrobromide (CHEBI:77422)
escitalopram hydrobromide (CHEBI:77423) is enantiomer of (R)-citalopram hydrobromide (CHEBI:77422)
IUPAC Name
(1R)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide
Synonyms Sources
(R)-(−)-citalopram hydrobromide ChEBI
(R)-citalopram HBr ChEBI
(R)-citalopram·HBr ChEBI
3-[(1R)-5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium bromide IUPAC
Registry Number Type Source
24050081 Reaxys Registry Number Reaxys
Last Modified
21 February 2014