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rac threo-Dihydro Bupropion-[d9] Hydrochloride

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General Information
Catalog: BLP-004090
CAS: 1392209-60-7
Molecular Formula: C13H12D9Cl2NO
Molecular Weight: 287.27

Chemical Structure

Description	Rac-Threo Dihydrobupropion-[d9] Hydrochloride is a labelled metabolite of Bupropion Hydrochloride, a selective inhibitor of dopamine uptake and an antidepressant of the aminoketone class, aid in smoking cessation.
Synonyms	rac threo-Dihydro Bupropion-D9 Hydrochloride; (2R)-rel-3-Chloro-2-[(1R)-1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol-D9 Hydrochloride; rac threo-Hydroxybupropion-D9 Hydrochloride; 3-Chloro-α-[1-[(1,1-dimethylethyl-d9)amino]ethyl]benzenemethanol Hydrochloride
IUPAC Name	(1S,2S)-1-(3-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-ol;hydrochloride
Related CAS	80478-42-8 (unlabelled) 1217815-08-1 (free base)
Canonical SMILES	CC(C(C1=CC(=CC=C1)Cl)O)NC(C)(C)C.Cl
InChI	InChI=1S/C13H20ClNO.ClH/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10;/h5-9,12,15-16H,1-4H3;1H/t9-,12+;/m0./s1/i2D3,3D3,4D3;
InChI Key	YZHVQDVGTAELNB-SKNDMWRXSA-N
Melting Point	208-210°C
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	White Crystalline Solid
Storage	Store at -20°C under inert atmosphere