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rac Demethyl Citalopram-[d3] Hydrochloride

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General Information
Catalog: BLP-004002
CAS: 1189650-18-7
Molecular Formula: C19H17D3ClF2O
Molecular Weight: 349.84

Chemical Structure

Description	Rac Demethyl Citalopram-[d3] Hydrochloride is a labelled metabolite of Citalopram, and an inhibitor of serotonin (5-HT) uptake.
Synonyms	1-(4-Fluoro-phenyl)-1-[3-(methyl-d3)amino-propyl]-1,3-dihydro-isobenzofuran-5-carbonitrile Hydrochloride; 1-[3-(Methylamino-d3)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
IUPAC Name	1-(4-fluorophenyl)-1-[3-(trideuteriomethylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrochloride
Related CAS	97743-99-2 (unlabelled) 1189490-71-8 (free base)
Isomeric SMILES	[2H]C([2H])([2H])NCCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Cl
Canonical SMILES	CNCCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Cl
InChI	InChI=1S/C19H19FN2O.ClH/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;/h3-8,11,22H,2,9-10,13H2,1H3;1H/i1D3;
InChI Key	DYIZNULSIBGJPJ-NIIDSAIPSA-N
Melting Point	78-80°C
Purity	≥99%
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly), Water (Slightly)
Appearance	White to Pale Yellow Solid
Storage	Hygroscopic,-20°C, Under inert atmosphere