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

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 connec...

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Bibliographic Details
Published in:Chemical communications (Cambridge, England) England), 2020-06, Vol.56 (45), p.694-697
Main Authors: Insausti, A, Calabrese, C, Parra, M, Usabiaga, I, Vallejo-López, M, Écija, P, Basterretxea, F. J, Grabow, J.-U, Caminati, W, Lesarri, A, Cocinero, E. J
Format: Article
Language:English
Subjects:
Aliphatic compounds
Anesthetics
Chains
Molecular chains
Molecular conformation
Rotational spectra
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Summary: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. A comprehensive conformational analysis and the impact of side chains on local anaesthetics in the case of benzocaine, butamben and isobutamben.
ISSN:1359-7345
1364-548X
DOI:10.1039/d0cc00760a