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Desmethyl Citalopram-[d4] Oxalate

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General Information
Catalog: BLP-003514
Molecular Formula: C21H17D4FN2O5
Molecular Weight: 404.4

Chemical Structure

Description	Desmethyl Citalopram-[d4] Oxalate, is the labelled analogue of Desmethyl Citalopram, which is a metabolite of Citalopram. Citalopram is a selective serotonin reuptake inhibitor as an antidepressant drug.
Synonyms	Desmethyl Citalopram-D4 Oxalate
IUPAC Name	(1S)-1-[3-(methylamino)propyl]-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid
Related CAS	852172-06-6 (unlabelled)
Canonical SMILES	CNCCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O
InChI	InChI=1S/C19H19FN2O.C2H2O4/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19;3-1(4)2(5)6/h3-8,11,22H,2,9-10,13H2,1H3;(H,3,4)(H,5,6)/t19-;/m0./s1/i4D,5D,6D,7D;
InChI Key	KIBDQJQSZZNPGM-JYMLUIOSSA-N
Purity	> 98%