Structural Study of Dopamine Agonist Lisuride

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Title:Structural Study of Dopamine Agonist Lisuride
Creators:
Čejka, Jan
Kratochvíl, Bohumil
Böhm, Stanislav
Císařová, Ivana
Cvak, Ladislav
Jegorov, Alexandr
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 68, 11, pp. 2150-2158
Uncontrolled Keywords:<i>Ab initio</i> calculations, Lisuride, Conformation analysis, X-Ray diffraction, Indole alkaloids, Crystal forms, Polymorphism, Crystal structure, Ergot alkaloids

Abstract

One monoclinic and three orthorhombic structures of natural ergot alkaloid lisuride were solved by X-ray diffraction techniques. The conformation analysis has revealed that side chain orientations of lisuride differ significantly from those observed in related terguride (<i>trans</i>-dihydrolisuride). The conformation found in individual lisuride molecules corresponds to another minimum of total energy calculated by <i>ab initio</i> quantum-mechanical calculations for a simplified model of 3-(cyclohex-2-en-1-yl)-1,1-diethylurea. <p>

Title:Structural Study of Dopamine Agonist Lisuride
Creators:
Čejka, Jan
Kratochvíl, Bohumil
Böhm, Stanislav
Císařová, Ivana
Cvak, Ladislav
Jegorov, Alexandr
Uncontrolled Keywords:<i>Ab initio</i> calculations, Lisuride, Conformation analysis, X-Ray diffraction, Indole alkaloids, Crystal forms, Polymorphism, Crystal structure, Ergot alkaloids
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:68
Number:11
Page Range:pp. 2150-2158
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc20032150UNSPECIFIED
ID Code:2176
Item Type:Article
Deposited On:06 Feb 2009 17:16
Last Modified:06 Feb 2009 16:16

Citation

Čejka, Jan; Kratochvíl, Bohumil; Böhm, Stanislav; Císařová, Ivana; Cvak, Ladislav; Jegorov, Alexandr (2003) Structural Study of Dopamine Agonist Lisuride. Collection of Czechoslovak Chemical Communications, 68 (11). pp. 2150-2158. ISSN 0010-0765

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