at Google ScholarTitle data
Thun, Jürgen ; Milius, Wolfgang ; Wedel, Bastian ; Ridder, Andre ; Mörsdorf, Peter ; Breu, Josef:
The crystal structure of the API Montelukast.
In: CrystEngComm.
Vol. 11
(2009)
Issue 7
.
- pp. 1306-1308.
ISSN 1466-8033
DOI: https://doi.org/10.1039/B822821C
Abstract in another language
The sodium salt of the title compound (1-{[(R)-m-(E)-2-(7-chloroquinol-2-yl)vinyl)]-a-[2-(1-hydroxy-1-methylethyl)phenylethyl]-benzylthio}-methyl)cyclopropane acetic acid (1), known as Montelukast (a free acid), is a potent and selective leukotriene D-4 receptor antagonist. With an annual turnover of over 3 billion US dollars, it still attracts considerable interest in current pharmaceutical research, however, up until now no structural information has been available. The unit cell contains two symmetry independent molecules, which are connected to long ribbons along the c-axis viahydrogen bonds. Lattice energy minimizations reveal that the main part of the lattice energy may be attributed to multipole–multipole interactions between highly polarized Montelukast moieties. However, it seems that the comparable small contributions of the above mentioned hydrogen bonds are essential structure directing ingredients for crystallization.
Further data
| Item Type: | Article in a journal |
|---|---|
| Refereed: | Yes |
| Institutions of the University: | Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Inorganic Chemistry I > Chair Inorganic Chemistry I - Univ.-Prof. Dr. Josef Breu Faculties Faculties > Faculty of Biology, Chemistry and Earth Sciences Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Inorganic Chemistry I |
| Result of work at the UBT: | Yes |
| DDC Subjects: | 500 Science > 540 Chemistry |
| Date Deposited: | 23 Mar 2018 08:32 |
| Last Modified: | 27 Sep 2023 08:49 |
| URI: | https://eref.uni-bayreuth.de/id/eprint/9997 |