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(S)-Citalopram N-Oxide-[d6]

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General Information
Catalog: BLP-000750
CAS: 1217710-65-0
Molecular Formula: C20H15D6FN2O2
Molecular Weight: 346.43

Chemical Structure

Description	(S)-Citalopram N-Oxide-[d6] is the labelled analogue of (S)-Citalopram N-Oxide. (S)-Citalopram N-Oxide is an impurity of Citalopram, which is an antidepressant of the selective serotonin reuptake inhibitor class.
Synonyms	(S)-Citalopram-d6 N-Oxide; 3-[(1S)-5-Cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-bis[(2H3)methyl]propan-1-amine N-oxide; (S)-1-[3-(Dimethyl-d6-amino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile N1-Oxide
IUPAC Name	3-[(1S)-5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-bis(trideuteriomethyl)propan-1-amine oxide
Related CAS	917482-45-2 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])[N+](CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)(C([2H])([2H])[2H])[O-]
Canonical SMILES	C[N+](C)(CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)[O-]
InChI	InChI=1S/C20H21FN2O2/c1-23(2,24)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-25-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1/i1D3,2D3
InChI Key	DIOGFDCEWUUSBQ-PVKQDMRYSA-N
Purity	> 98%