Conformational analysis and a crystal structure of bupropion, an antidepressant with dopamine reuptake blocking activity

被引：12

作者：

Froimowitz, M

George, C

机构：

[1] PharmEco Labs, Lexington, MA 02173 USA

[2] USN, Res Lab, Struct Matter Lab, Washington, DC 20375 USA

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1998年 / 38卷 / 03期

关键词：

D O I：

10.1021/ci980401m

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

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页码：506 / 510

页数：5

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