Irbesartan: FTIR and Raman spectra : Density functional study on vibrational and NMR spectra
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 fun...
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| Formato: | Articulo |
| Lenguaje: | Inglés |
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2009
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| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/151441 |
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I19-R120-10915-151441 |
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I19-R120-10915-1514412023-04-13T20:40:32Z http://sedici.unlp.edu.ar/handle/10915/151441 issn:0377-0486 Irbesartan: FTIR and Raman spectra : Density functional study on vibrational and NMR spectra Franca, Carlos Alberto Etcheverry, Susana Beatriz Pis Diez, Reinaldo Williams, Patricia Ana María 2009-09 2023-04-13T17:51:36Z en Ciencias Exactas Química Irbesartan FTIR spectra Raman spectra NMR density functional theory 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 Articulo Articulo http://creativecommons.org/licenses/by/4.0/ Creative Commons Attribution 4.0 International (CC BY 4.0) application/pdf 1296-1300 |
| institution |
Universidad Nacional de La Plata |
| institution_str |
I-19 |
| repository_str |
R-120 |
| collection |
SEDICI (UNLP) |
| language |
Inglés |
| topic |
Ciencias Exactas Química Irbesartan FTIR spectra Raman spectra NMR density functional theory |
| spellingShingle |
Ciencias Exactas Química Irbesartan FTIR spectra Raman spectra NMR density functional theory Franca, Carlos Alberto Etcheverry, Susana Beatriz Pis Diez, Reinaldo Williams, Patricia Ana María Irbesartan: FTIR and Raman spectra : Density functional study on vibrational and NMR spectra |
| topic_facet |
Ciencias Exactas Química Irbesartan FTIR spectra Raman spectra NMR density functional theory |
| description |
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. |
| format |
Articulo Articulo |
| author |
Franca, Carlos Alberto Etcheverry, Susana Beatriz Pis Diez, Reinaldo Williams, Patricia Ana María |
| author_facet |
Franca, Carlos Alberto Etcheverry, Susana Beatriz Pis Diez, Reinaldo Williams, Patricia Ana María |
| author_sort |
Franca, Carlos Alberto |
| title |
Irbesartan: FTIR and Raman spectra : Density functional study on vibrational and NMR spectra |
| title_short |
Irbesartan: FTIR and Raman spectra : Density functional study on vibrational and NMR spectra |
| title_full |
Irbesartan: FTIR and Raman spectra : Density functional study on vibrational and NMR spectra |
| title_fullStr |
Irbesartan: FTIR and Raman spectra : Density functional study on vibrational and NMR spectra |
| title_full_unstemmed |
Irbesartan: FTIR and Raman spectra : Density functional study on vibrational and NMR spectra |
| title_sort |
irbesartan: ftir and raman spectra : density functional study on vibrational and nmr spectra |
| publishDate |
2009 |
| url |
http://sedici.unlp.edu.ar/handle/10915/151441 |
| work_keys_str_mv |
AT francacarlosalberto irbesartanftirandramanspectradensityfunctionalstudyonvibrationalandnmrspectra AT etcheverrysusanabeatriz irbesartanftirandramanspectradensityfunctionalstudyonvibrationalandnmrspectra AT pisdiezreinaldo irbesartanftirandramanspectradensityfunctionalstudyonvibrationalandnmrspectra AT williamspatriciaanamaria irbesartanftirandramanspectradensityfunctionalstudyonvibrationalandnmrspectra |
| _version_ |
1765659964181839872 |