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rac erythro-Dihydro Bupropion-[d9]

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General Information
Catalog: BLP-012819
CAS: 1217684-77-9
Molecular Formula: C13H11D9ClNO
Molecular Weight: 250.81

Chemical Structure

Description	rac erythro-Dihydro Bupropion-[d9] is the labelled analogue of rac erythro-Dihydro Bupropion, which is a metabolite of Bupropion, an antidepressant.
Synonyms	rac erythro-Dihydro Bupropion D9; (αS)-rel-3-Chloro-α-[(1R)-1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol-d9; rac erythro-Hydroxybupropion-d9
IUPAC Name	(1S,2R)-1-(3-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-ol
Related CAS	80478-43-9 (unlabelled hydrochloride) 99102-04-2 (unlabelled)
Canonical SMILES	CC(C(C1=CC(=CC=C1)Cl)O)NC(C)(C)C
InChI	InChI=1S/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3/t9-,12-/m1/s1/i2D3,3D3,4D3
InChI Key	NDPTTXIBLSWNSF-WSBYFTHXSA-N
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in Chloroform (Slightly), Dichloromethane (Slightly), Ethanol (Slightly)
Appearance	Pale Yellow Solid
Storage	Store at -20°C