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Hydroxy Bupropion-[d6]

General Information
Catalog: BLP-012818
CAS: 1216893-18-3
Molecular Formula: C13H12D6ClNO2
Molecular Weight: 261.78
Chemical Structure
Hydroxy Bupropion-[d6]
Description Hydroxy Bupropion-[d6] is the labelled analogue of Hydroxy Bupropion, which is a metabolite of Bupropion, an antidepressant.
Synonyms Hydroxy Bupropion D6; 2-Hydroxy-2-(3'-chlorophenyl)-3,5,5-trimethylmorpholine-d6; Bupropion morpholinol-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 357399-43-0 (unlabelled)
Isomeric SMILES [2H]C([2H])([2H])C1(COC(C(N1)C)(C2=CC(=CC=C2)Cl)O)C([2H])([2H])[2H]
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
Boiling Point 386.57°C at 760 mmHg (Predicted)
Melting Point 115-117°C
Purity ≥99% by HPLC; 99% atom D
Density 1.17 g/cm3 (Predicted)
Solubility Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Appearance Off-White to Pale Beige Solid
Storage Store at -20°C under inert atmosphere

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