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S-Citalopram-[d4]-Oxalate

General Information
Catalog: BLP-004206
Molecular Formula: C22H19D4FN2O5
Molecular Weight: 418.45
Chemical Structure
S-Citalopram-[d4]-Oxalate
Description Isotopic labelled 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 (1S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile-d4 Ethanedioate; Escitalopram-d4 Oxalate; (S)-(+)-Citalopram-d4 Oxalate
IUPAC Name (1S)-1-(4-fluorophenyl)-1-[3-[methyl(trideuteriomethyl)amino]propyl]-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;
InChI Key KTGRHKOEFSJQNS-GFCZISHFSA-N
Purity >98%
Storage Store at-20°C

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