CHEBI:36792 - (R)-citalopram

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ChEBI Name (R)-citalopram ChEBI ID CHEBI:36792 ChEBI 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H21FN2O Net Charge 0 Average Mass 324.39202 Monoisotopic Mass 324.16379 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 SMILES CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing (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 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 Sources (−)-citalopram ChEBI (1R)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile ChEBI (R)-(−)-citalopram ChEBI Registry Numbers Types Sources 9001443 Reaxys Registry Number Reaxys 9001443 Beilstein Registry Number Beilstein Citation Type Source 14501259 PubMed citation Europe PMC Last Modified 20 February 2014