Publications by authors named "Helena Sremec"
Org Biomol Chem
February 2019
Article Synopsis
- - The study focuses on the racemization of oxazepam, a tranquilizer and hypnotic drug, in an aqueous environment, with various proposed mechanisms of enantiomerization analyzed using high-level quantum-chemical models.
- - After testing four potential mechanisms, only ring-chain tautomerism was found to align with the experimental energy barrier and pH-rate profile, indicating it does not require acid/base catalysis for racemization.
- - Intramolecular proton transfer is key to the ring-chain mechanism, leading to the formation of an achiral intermediate that results in the inverted configuration at the chiral C3 position, suggesting this mechanism may also apply to other similar benzodiazepines.
