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Citalopram-[d4] Hydrobromide Salt

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General Information
Catalog: BLP-011562
CAS: 1219803-58-3
Molecular Formula: C20H17D4FN2O.HBr
Molecular Weight: 409.33

Chemical Structure

Description	Citalopram-[d4] Hydrobromide is the labelled salt of Citalopram. Citalopram is an antidepressant of the selective serotonin reuptake inhibitor class. It is used to treat major depressive disorder, obsessive compulsive disorder, panic disorder, and social phobia.
Synonyms	Citalopram-d4 Hydrobromide Salt; Citalopram D4 HBr; 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl-d4)-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide; (±)-Citalopram-d4 Hydrobromide; Apertia-d4; Celexa-d4; Cipram-d4; Cipramil-d4; Citopram-d4; Elopram-d4; Lecital-d4; Lupram-d4; Pramcit-d4; Prisdal-d4; Sepram-d4; Seropram-d4
IUPAC Name	1-[3-(dimethylamino)propyl]-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide
Related CAS	59729-32-7 (unlabelled) 59729-33-8 (unlabelled free base)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1C2(C3=C(CO2)C=C(C=C3)C#N)CCCN(C)C)[2H])[2H])F)[2H].Br
Canonical SMILES	CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br
InChI	InChI=1S/C20H21FN2O.BrH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H/i5D,6D,7D,8D;
InChI Key	WIHMBLDNRMIGDW-VBMPRCAQSA-N
Melting Point	180-182°C
Purity	≥98%; ≥98% atom D
Solubility	Soluble in Methanol (Slightly), Water (Slightly)
Appearance	Off-White to Pale Yellow Solid
Storage	Store at -20°C