6533b829fe1ef96bd128ab30
RESEARCH PRODUCT
Structure and Stability of Racemic and Enantiopure Pimobendan Monohydrates: On the Phenomenon of Unusually High Stability
Toms RekisAgris BerzinsIlva NakurteAndris ActiņšDia̅na DžabijevaLiana Orolasubject
Hydrogen bondChemistryStacking02 engineering and technologyGeneral ChemistryCrystal structureAtmospheric temperature range010402 general chemistry021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciences0104 chemical sciencesCrystallographyEnantiopure drugMelting pointOrganic chemistryGeneral Materials ScienceSolubility0210 nano-technologyDispersion (chemistry)description
Study of structures and physicochemical properties of racemic (rac-H) and enantiopure (enant-H) hydrates of the active pharmaceutical ingredient pimobendan revealed that both hydrates have highly similar crystal structures and exhibit unusually high stability. Both structures contain identical two-dimensional layers and very similar conformations. The most significant difference is the stacking of these layers. The high stability of both hydrates appeared as extremely low solubility over a wide temperature range as well as an exceptionally high dehydration temperature and melting point. Study of the dehydration process showed that both hydrates have different activation energies of dehydration and kinetic model. Intermolecular interaction energy calculations showed that the dispersion interactions provide a highly significant stabilizing force in both pimobendan hydrates, while their exceptionally high stability can be associated with an efficient interplay between the hydrogen bonding and the dispersion ...
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2017-03-16 | Crystal Growth & Design |