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Irbesartan: FTIR and Raman spectra. Density functional study on vibrational and NMR spectra

2009; Wiley; Volume: 40; Issue: 9 Linguagem: Inglês

10.1002/jrs.2282

1097-4555

Carlos A. Franca, Susana B. Etcheverry, Reinaldo Pis Diez, Patricia A.M. Williams,

Nonlinear Optical Materials Research

Abstract Arterial hypertension is a very common disease, which is treated with different medications such as Irbesartan. This compound is a nonpeptide antagonist of the receptor of the enzyme angiotensin II. The infrared and Raman spectra of this compound were recorded and discussed assisted with density functional theory using the 6‐31G** basis set and animated pictures. Irbesartan exists in two tautomeric forms which can be isolated in the solid state. The vibrational study has been recorded using a mixture of both forms. 13 C, 15 N and 1 H NMR theoretical studies have been performed and compared with previously reported experimental data. Theoretical calculations allowed the determination of the main features of the A and B tautomers of Irbesartan both in the vibrational studies and in the NMR spectroscopy. Copyright © 2009 John Wiley & Sons, Ltd.