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CHEBI:77422 - (R)-citalopram hydrobromide

ChEBI IDCHEBI:77422
ChEBI Name(R)-citalopram hydrobromide
Stars
ASCII Name(R)-citalopram hydrobromide
DefinitionA 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.
Last Modified21 February 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H21FN2O.HBr
Net Charge0
Average Mass405.311
Monoisotopic Mass404.08995
SMILESBr.CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
InChIInChI=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
InChIKeyWIHMBLDNRMIGDW-VEIFNGETSA-N
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
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  Source
(R)-citalopram·HBrChEBI
(R)-citalopram HBrChEBI
3-[(1R)-5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium bromideIUPAC
(R)-(−)-citalopram hydrobromideChEBI
Registry NumbersSources
Reaxys:24050081Reaxys