Theoretical and Experimental Investigation of Autoxidation Propensity of Selected Drugs in Solution State

The C–H bond dissociation energy (BDE) of drug molecules is often used to estimate their relative propensities to undergo autoxidation. BDE calculations based on electronic structures provide a convenient means to estimate the risk for a given compound to degrade via autoxidation. This study aimed t...

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Veröffentlicht in:	Molecular pharmaceutics 2023-03, Vol.20 (3), p.1768-1778
Hauptverfasser:	Iyer, Jayant, Brunsteiner, Michael, Ray, Andrew, Davis, Adrian, Saraf, Isha, Paudel, Amrit
Format:	Artikel
Sprache:	eng
Schlagworte:	Pharmaceutical Preparations - chemistry Thermodynamics
Online-Zugang:	Volltext
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