Conformational impact of aliphatic side chains in local anaesthetics: benzocaine, butamben and isobutamben

Autor:	Jens-Uwe Grabow, Aran Insausti, Walther Caminati, Montserrat Vallejo-López, Patricia Écija, Camilla Calabrese, Maider Parra, Emilio J. Cocinero, Imanol Usabiaga, Francisco J. Basterretxea, Alberto Lesarri
Rok vydání:	2020
Předmět:	chemistry.chemical_classification Flexibility (anatomy) Materials science Metals and Alloys General Chemistry Catalysis Molecular conformation Surfaces Coatings and Films Electronic Optical and Magnetic Materials chemistry.chemical_compound Benzocaine medicine.anatomical_structure chemistry Computational chemistry Materials Chemistry Ceramics and Composites medicine Side chain Rotational spectroscopy Butamben Alkyl medicine.drug
Zdroj:	Chemical Communications. 56:6094-6097
ISSN:	1364-548X 1359-7345
DOI:	10.1039/d0cc00760a
Popis:	We studied the impact of aliphatic side chains on the stability and conformational landscape of the local anaesthetics benzocaine, butamben and isobutamben, combining high-resolution rotational spectroscopy in the microwave and millimetre regions and molecular modelling. The study reveals the connections between alkyl chain flexibility and molecular conformations.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e2587981ab02e67c2de583f41560775b https://doi.org/10.1039/d0cc00760a Zobrazit plný text záznamu