102976-53-4

Basic information

• Product Name: 2-Bromo-1-(3-chloro-4-methoxy-phenyl)-propan-1-one
• Synonyms: 2-Bromo-1-(3-chloro-4-methoxy-phenyl)-propan-1-one
• CAS NO: 102976-53-4
• Molecular Weight: 277.545
• Mol File: 102976-53-4.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 2-Bromo-1-(3-chloro-4-methoxy-phenyl)-propan-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Bromo-1-(3-chloro-4-methoxy-phenyl)-propan-1-one(102976-53-4)
• EPA Substance Registry System: 2-Bromo-1-(3-chloro-4-methoxy-phenyl)-propan-1-one(102976-53-4)

Safety Data

• Hazardous Substances Data: 102976-53-4(Hazardous Substances Data)

Upstream product

• 37908-98-8 methyl 3-chloro-p-anisate 
• 102151-33-7 3-Chloro-4-methoxybenzonitrile 
• 36590-49-5 3-chloro-4-methoxybenzoyl chloride 
• 89978-93-8 3-chloro-4-methoxy-benzoic acid amide 
• 37908-96-6 3-chloro-4-methoxy benzoic acid 
• 4394-54-1 1-(3'-chloro-4'-methoxyphenyl)-1-propanone 

Relevant articles and documents

Identification and Structural Characterization of Three New Metabolites of Bupropion in Humans

Bupropion is a widely used antidepressant and the recommended CYP2B6 probe drug. However, current understanding of bupropion elimination pathways is limited. Bupropion has three active circulating metabolites, OH-bupropion, threohydrobupropion, and erythrohydrobupropion, but together with bupropion these metabolites and their conjugates in urine represent only 23% of the dose, and the majority of the elimination pathways of bupropion result in uncharacterized metabolites. The aim of this study was to determine the structures of the uncharacterized bupropion metabolites using human clinical samples and in vitro incubations. Three new metabolites, 4′-OH-bupropion, erythro-4′-OH-hydrobupropion, and threo-4′-OH-hydrobupropion, were detected in human liver microsome incubations and were isolated from human urine. The structures of the metabolites were confirmed via comparison of UV absorbance, NMR spectra, and mass spectral data to those of the synthesized standards. In total, these metabolites represented 24% of the drug related material excreted in urine.