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(S)-Desfluoro Citalopram-[d6] Oxalate

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General Information
Catalog: BLP-000752
CAS: 1346617-15-9
Molecular Formula: C22H18D6N2O5
Molecular Weight: 402.47

Chemical Structure

Description	(S)-Desfluoro Citalopram-[d6] Oxalate is the labelled analogue of (S)-Desfluoro Citalopram Oxalate. (S)-Desfluoro Citalopram Oxalate is an impurity of (S)-Citalopram.
Synonyms	(S)-Desfluoro Citalopram-d6 Oxalate; (1S)-1-[3-(Dimethyl-d6-amino)propyl]-1,3-dihydro-1-phenyl-5-isobenzofurancarbonitrile Ethanedioate
IUPAC Name	(1S)-1-[3-[bis(trideuteriomethyl)amino]propyl]-1-phenyl-3H-2-benzofuran-5-carbonitrile;oxalic acid
Related CAS	1093072-86-6 (unlabelled racemic mixture)
Canonical SMILES	CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=CC=C3.C(=O)(C(=O)O)O
InChI	InChI=1S/C20H22N2O.C2H2O4/c1-22(2)12-6-11-20(18-7-4-3-5-8-18)19-10-9-16(14-21)13-17(19)15-23-20;3-1(4)2(5)6/h3-5,7-10,13H,6,11-12,15H2,1-2H3;(H,3,4)(H,5,6)/t20-;/m0./s1/i1D3,2D3;
InChI Key	MCSDUGFBIQIOCC-RURDCJKXSA-N
Purity	98%