(R)-citalopram (CHEBI:36792)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:36792 - (R)-citalopram

Take structure to advanced search

ChEBI ID	CHEBI:36792
ChEBI Name	(R)-citalopram
Stars
ASCII Name	(R)-citalopram
Definition	A 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has R-configuration at the chiral centre. It is the inactive enantiomer of citalopram.
Last Modified	20 February 2014
Submitter	Kirill Degtyarenko
Downloads	Molfile

Formula	C20H21FN2O
Net Charge	0
Average Mass	324.399
Monoisotopic Mass	324.16379
SMILES	CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
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-/m1/s1
InChIKey	WSEQXVZVJXJVFP-HXUWFJFHSA-N

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	(R)-citalopram (CHEBI:36792) is a 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile (CHEBI:77397)
	(R)-citalopram (CHEBI:36792) is conjugate base of (R)-citalopram(1+) (CHEBI:77405)
	(R)-citalopram (CHEBI:36792) is enantiomer of escitalopram (CHEBI:36791)
Incoming Relation(s)
	citalopram (CHEBI:3723) has part (R)-citalopram (CHEBI:36792)
	(R)-citalopram(1+) (CHEBI:77405) is conjugate acid of (R)-citalopram (CHEBI:36792)
	escitalopram (CHEBI:36791) is enantiomer of (R)-citalopram (CHEBI:36792)

Synonyms	Source
(1R)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile	ChEBI
(R)-(−)-citalopram	ChEBI
(−)-citalopram	ChEBI

Registry Numbers	Sources
Reaxys:9001443	Reaxys

Citations