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Abstract #26754 Published in IGR 12-3

The structure of betaxolol studied by infrared spectroscopy and natural bond orbital theory

Canotilho J; Castro RAE
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2010; 76: 395-400

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Betaxolol is a selective (beta)(1) receptor blocker used in the treatment of hypertension and glaucoma. A study of the betaxolol structure based on infrared spectroscopy and natural bond orbital (NBO) theory is the main aim of the present research. FTIR spectra of the solid betaxolol were recorded in the region from 4000 to 400 cm(-1), in the temperature range between 25 and -170 (degrees)C. For spectral interpretation, spectrum of the deuterated betaxolol and the theoretical vibrational spectra of the conformer present in the solid obtained at the B3LYP/6-31G

J. Canotilho. Center for Pharmaceutical Studies, Faculty of Pharmacy, University of Coimbra, Coimbra 3000-548, Portugal. jcano@ci.uc.pt

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Classification:

11.3.4 Betablocker (Part of: 11 Medical treatment > 11.3 Adrenergic drugs)

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