title: Conformational analysis and a crystal structure of bupropion, an antidepressant with dopamine reuptake blocking activity.
abstract: A conformational analysis has been performed on the antidepressant bupropion using the MM3-92 program. In addition, the structure of the compound in the crystal state was obtained. There is good agreement between the computed global minimum and the structure observed by crystallography. The three-dimensional structure of the preferred conformer of bupropion is consistent with the three-dimensional structures of other dopamine reuptake blockers such as cocaine, CFT, and methylphenidate.
authors.affiliation: Pharm-Eco Laboratories, Lexington, Massachusetts 02173-7800, USA. markf@pharmeco.com
authors.forename: M
authors.initials: M
authors.lastname: Froimowitz
authors.forename: C
authors.initials: C
authors.lastname: George
mesh_terms: D018687:Antidepressive Agents, Second-Generation / Q000737:chemistry* / Q000494:pharmacology; D016642:Bupropion / Q000737:chemistry* / Q000494:pharmacology; D003460:Crystallization; D018360:Crystallography, X-Ray; D018765:Dopamine Uptake Inhibitors / Q000737:chemistry* / Q000494:pharmacology; D006801:Humans; D008958:Models, Molecular; D008968:Molecular Conformation; D012984:Software; D013329:Structure-Activity Relationship; D013816:Thermodynamics
chemical_list: D018687:Antidepressive Agents, Second-Generation; D018765:Dopamine Uptake Inhibitors; D016642:Bupropion