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Citalopram-[d6] Oxalate

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General Information
Catalog: BLP-011561
CAS: 1246819-94-2
Molecular Formula: C20H15D6FN2O.C2H2O4
Molecular Weight: 420.46

Chemical Structure

Description	Citalopram-[d6] Oxalate is the labelled salt of Citalopram. Citalopram is an antidepressant of the selective serotonin reuptake inhibitor class. It is used to treat major depressive disorder, obsessive compulsive disorder, panic disorder, and social phobia.
Synonyms	Citalopram oxalate D6; 1-[3-(Dimethylamino-d6)propyl]-1-(4-fluorophenyl)-1,3-dizohydro-5-isobenzofurancarbonitrile Oxalate Salt; Citalopram-d6 Oxalate; Nitalapram-d6 Oxalate; Celexa-d6 Oxalate; Cipram-d6 Oxalate; Bonitrile-d6 Oxalate
IUPAC Name	1-[3-[bis(trideuteriomethyl)amino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid
Related CAS	207559-01-1 (unlabelled) 59729-33-8 (unlabelled free base) 219861-08-2 (unlabelled S-isomer) 219861-53-7 (unlabelled R-isomer)
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)/i1D3,2D3;
InChI Key	KTGRHKOEFSJQNS-TXHXQZCNSA-N
Melting Point	161-164°C
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in Methanol (Slightly)
Appearance	White Solid
Storage	Store at 2-8°C