Name: Escitalopram-[d6]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-015055

CAS: 1092655-50-9

Molecular Formula: C20H15D6FN2O

Molecular Weight: 330.43

Chemical Structure

Description	Escitalopram-[d6] is the labelled analogue of Escitalopram. Escitalopram is an antidepressant of the selective serotonin reuptake inhibitor class.
Synonyms	(S)-1-(3-(Bis(methyl-d3)amino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile; Escitalopram-D6; (1S)-1-[3-[Di(methyl-d3)amino]propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile; 5-Isobenzofurancarbonitrile, 1-[3-[di(methyl-d3)amino]propyl]-1-(4-fluorophenyl)-1,3-dihydro-, (1S)-; (+)-(S)-1-(3-(Dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile-d6; (+)-(S)-Citalopram-d6; (+)-Citalopram-d6; (S)-Citalopram-d6; S-(+)-Citalopram-d6; Seroplex-d6
IUPAC Name	(1S)-1-[3-[bis(trideuteriomethyl)amino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
Related CAS	128196-01-0 (unlabelled) 219861-08-2 (unlabelled oxalate salt)
Canonical SMILES	[2H]C([2H])([2H])N(CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)C([2H])([2H])[2H]
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-/m0/s1/i1D3,2D3
InChI Key	WSEQXVZVJXJVFP-PVKQDMRYSA-N
Purity	>95%
Storage	Store at 2-8 °C