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(S)-Citalopram-[d6] Oxalate

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General Information
Catalog: BLP-000751
CAS: 1217733-09-9
Molecular Formula: C22H17D6FN2O5
Molecular Weight: 420.46

Chemical Structure

Description	(S)-Citalopram-[d6] Oxalate is the labelled analogue of Escitalopram Oxalate. Escitalopram Oxalate also known by the brand names Lexapro and Cipralex among others, is an antidepressant of the selective serotonin reuptake inhibitor (SSRI) class. It is approved by the U.S. Food and Drug Administration (FDA) for the treatment of adults and children over 12 years of age with major depressive disorder (MDD) and generalized anxiety disorder (GAD).
Synonyms	(S)-Citalopram-d6 Oxalate; (1S)-1-[3-(Dimethylamino-d6)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile Oxalate
IUPAC Name	(1S)-1-[3-[bis(trideuteriomethyl)amino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid
Related CAS	219861-08-2 (unlabelled)
Canonical SMILES	CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O
InChI	InChI=1S/C20H21FN2O.C2H2O4/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;3-1(4)2(5)6/h4-9,12H,3,10-11,14H2,1-2H3;(H,3,4)(H,5,6)/t20-;/m0./s1/i1D3,2D3;
InChI Key	KTGRHKOEFSJQNS-RURDCJKXSA-N
Melting Point	150-152 °C
Purity	98%; > 95% atom D
Solubility	Slightly soluble in Methanol
Appearance	White Solid
Storage	-20 °C