Abstract:A chiral HPLC analysis combined with time-dependent density functional theory (TD-DFT) calculations was used for the assignment of the absolute configuration (AC) of both enantiomers of the antihistamine drug chlorpheniramine. Circular dichroism and optical rotation detections coupled to the chromatographic system (HPLC-CD-OR) permitted the on-line measurement of the CD spectra and [α] 670 values, while TD-DFT at the B3LYP/TZVP//B3LYP/VDZ(P) and B3LYP/ aug-cc-pVDZ//B3LYP/VDZ(P) levels of theory for CD and OR, … Show more
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.