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(±)-Hydroxybupropion-[d6]

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General Information
Catalog: BLP-007931
CAS: 1184984-06-2
Molecular Formula: C13H12D6ClNO2
Molecular Weight: 261.78

Chemical Structure

Description	(+/-)-Hydroxybupropion-[d6] is the labelled analogue of (+/-)-Hydroxybupropion, which is the main metabolite of Bupropion. Bupropion is an antidepressant and a drug used to stop smoking.
Synonyms	(±)-Hydroxybupropion-D6; Bupropion morpholinol-D6; Hydroxybupropion D6; 2-Hydroxy-2-(3-chlorophenyl)-3,5,5-trimethylmorpholine-d6; 1-(3-chlorophenyl)-2-((2-(hydroxymethyl)propan-2-yl-1,1,1,3,3,3-d6)amino)propan-1-one
IUPAC Name	2-(3-chlorophenyl)-3-methyl-5,5-bis(trideuteriomethyl)morpholin-2-ol
Related CAS	92264-81-8 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C(CO)(C([2H])([2H])[2H])NC(C)C(=O)C1=CC(=CC=C1)Cl
Canonical SMILES	CC1C(OCC(N1)(C)C)(C2=CC(=CC=C2)Cl)O
InChI	InChI=1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/i2D3,3D3
InChI Key	RCOBKSKAZMVBHT-XERRXZQWSA-N
Melting Point	115-117°C
Purity	98%; 98% atom D
Solubility	Soluble in Acetonitrile
Appearance	Off-white Solid
Storage	Store at -20°C