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Escitalopram-[d3] oxalate

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Escitalopram-[d3] oxalate

Name: Escitalopram-[d3] oxalate
Brand: BOC Sciences
Rating: 5 (1 reviews)

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General Information
Catalog: BLP-005339
Molecular Formula: C22H20D3FN2O5
Molecular Weight: 417.4

Chemical Structure

Description	Escitalopram-[d3] oxalate is the labelled analogue of Escitalopram. Escitalopram is an antidepressant of the selective serotonin reuptake inhibitor class.
Synonyms	Escitalopram D3 oxalate
IUPAC Name	3-[(1S)-1-(4-fluorophenyl)-5-isocyano-3H-2-benzofuran-1-yl]-N-methyl-N-(trideuteriomethyl)propan-1-amine;oxalic acid
Related CAS	219861-08-2 (unlabelled)
Canonical SMILES	CN(C)CCCC1(C2=C(CO1)C=C(C=C2)[N+]#[C-])C3=CC=C(C=C3)F.C(=O)(C(=O)O)O
InChI	InChI=1S/C20H21FN2O.C2H2O4/c1-22-18-9-10-19-15(13-18)14-24-20(19,11-4-12-23(2)3)16-5-7-17(21)8-6-16;3-1(4)2(5)6/h5-10,13H,4,11-12,14H2,2-3H3;(H,3,4)(H,5,6)/t20-;/m0./s1/i2D3;
InChI Key	PTUHCAMZQHUVDI-GAWMDVPMSA-N
Purity	>98%
Storage	Store at -20°C