Levcromakalim Revisited: NMR Spectroscopic and Theoretical Investigations
- Author(s)
- Gerhard Ecker, Hermann Kalchhauser, Luckhana Lawtrakul, Karl Peter Wolschann
- Abstract
The conformative behaviour of the potassium channel opener levcromakalim ((-)-cromakalim) was thoroughly investigated applying NMR spectroscopy in different solvents as well as ab initio and DFT calculations. One predominant conformation was found to prevail in solution. Chemical shift values (1H, 13C) obtained by the GIAO method employing high basis sets (B3LYP/6-311++G**) proved to be sensitive to conformational changes. Those correlating best with the measured data correspond to the structure as determined by 2D NMR spectroscopy.
- Organisation(s)
- Department of Theoretical Chemistry
- External organisation(s)
- Thammasat University
- Journal
- Monatshefte für Chemie
- Volume
- 132
- Pages
- 373-386
- No. of pages
- 14
- ISSN
- 0026-9247
- DOI
- https://doi.org/10.1007/s007060170123
- Publication date
- 2001
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 301207 Pharmaceutical chemistry, 1030 Physics, Astronomy, 104022 Theoretical chemistry
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/6fb04b17-0c7e-4209-9834-f8ff9f308122