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

• Autores: Franca, Carlos Alberto; Etcheverry, Susana Beatriz; Pis Diez, Reinaldo; Williams, Patricia Ana María
• Año de publicación: 2009
• Idioma: inglés
• Tipo de recurso: artículo
• Materia: Ciencias Exactas; Química; Irbesartan; FTIR spectra; Raman spectra; NMR; density functional theory
• Institución: Universidad Nacional de La Plata

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. ¹³C, ¹⁵N and ¹H 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.
Centro de Química Inorgánica