Hostname: page-component-cd9895bd7-8ctnn Total loading time: 0 Render date: 2024-12-26T07:49:41.838Z Has data issue: false hasContentIssue false
  • English
  • Français

X-ray powder diffraction data and characterization of Mirabegron

Published online by Cambridge University Press:  19 December 2017

Jose H. Quintana Mendoza ,
J. A. Henao ,
Andrea P. Aparicio  and
Arnold R. Romero Bohorquez
Jose H. Quintana Mendoza*
Affiliation:
Grupo de Investigación en Química Estructural (GIQUE), Escuela de Química, Facultad de Ciencias, Universidad Industrial de Santander, A.A. 678, Carrera 27, Calle 9 Ciudadela Universitaria. Bucaramanga, Colombia Grupo de Investigación en Compuestos Orgánicos de Interés Medicinal (CODEIM), Parque Tecnológico Guatiguará, Universidad Industrial de Santander, A.A. 678, Piedecuesta, Colombia Grupo de Investigación en Biocalorimetría, Departamento de Química, Universidad de Pamplona, Km 1 vía Bucaramanga, Pamplona, Colombia
J. A. Henao
Affiliation:
Grupo de Investigación en Química Estructural (GIQUE), Escuela de Química, Facultad de Ciencias, Universidad Industrial de Santander, A.A. 678, Carrera 27, Calle 9 Ciudadela Universitaria. Bucaramanga, Colombia
Andrea P. Aparicio
Affiliation:
Grupo de Investigación en Química Estructural (GIQUE), Escuela de Química, Facultad de Ciencias, Universidad Industrial de Santander, A.A. 678, Carrera 27, Calle 9 Ciudadela Universitaria. Bucaramanga, Colombia
Arnold R. Romero Bohorquez
Affiliation:
Grupo de Investigación en Química Estructural (GIQUE), Escuela de Química, Facultad de Ciencias, Universidad Industrial de Santander, A.A. 678, Carrera 27, Calle 9 Ciudadela Universitaria. Bucaramanga, Colombia Grupo de Investigación en Compuestos Orgánicos de Interés Medicinal (CODEIM), Parque Tecnológico Guatiguará, Universidad Industrial de Santander, A.A. 678, Piedecuesta, Colombia
*
a)Author to whom correspondence should be addressed. Electronic mail: jhquintanam@gmail.com
Get access Rights & Permissions [Opens in a new window]

Abstract

Mirabegron, (C21H24N4O2S), is a β3-adrenoceptor agonist approved in Japan, the USA, Canada and Europe, for the treatment of overactive bladder symptoms. There are no entries for this important active pharmaceutical ingredient in the Cambridge Structural Database or the Powder Diffraction File-4/Organics database. In this contribution, the powder diffraction pattern of Mirabegron, an unreported phase, are presented with a study by spectroscopy methods (Fourier-transform infrared spectroscopy [FT-IR] and RAMAN) and thermal analysis (thermogravimetric analysis [TGA]-differential scanning calorimetry [DSC]).

Keywords

MirabegroncharacterizationX-ray powder diffraction
Type
Data Report
Information
Powder Diffraction , Volume 32 , Issue 4 , December 2017 , pp. 290 - 294
Copyright
Copyright © International Centre for Diffraction Data 2017 

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Boultif, A. and Loüer, D. (2014). “Some further considerations in powder diffraction pattern indexing with the dichotomy method”. Powd. Diffr. 29(S2), S7–S12.Google Scholar
de Wolff, P. M. (1968). “A simplified criterion for the reliability of a powder pattern indexing,” J. Appl. Crystallogr. 1, 108–113.Google Scholar
Dong, C. (1999). “Powderx: windows-95-based program for poder X-ray diffraction data processing”, J. Appl. Crystallogr. 32, 838.Google Scholar
Groom, C. R., Bruno, I. J., Lightfoot, M. P., and Ward, S. C. (2016). “The cambridge structural database,” Acta Crystallogr. Sect. B: Struct. Sci., Cryst. Eng. Mater. 72, 171–179.Google Scholar
Mighell, A. D., Hubbard, C. R., and Stalick, J. K. (1981). NBS* AIDS80: A Fortran Program for Crystalographic Data Evaluation. (National Bureau Standards, USA), Technical Note 1141. (NBS*AIDS83is a newer versión of NBS*AIDS80).Google Scholar
Nitti, V., Khullar, V., van Kerrebroeck, P., Herschorn, S., Cambronero, J., Angulo, J., Blauwet, M., Dorrepaal, C., Siddiqui, E. and Martin, N. (2013). “Mirabegron for the treatment of overactive bladder: a prespecified pooled efficacy analysis and pooled safety analysis of three randomised, double-blind, placebo-controlled, phase III studies”. Int. J. Clin. Pract. 67(7), 619–632.CrossRefGoogle Scholar
Rachinger, W. A. (1948). “A correction for the α 1 α 2 doublet in the measurement of widths of X-ray diffraction lines”, J. Sci. Instrum. 25, 254.CrossRefGoogle Scholar
Rodriguez-Carvajal, J. (1990). “FULLPROF: a program for Rietveld refine-ment and pattern matching analysis,” in Abstracts of the Satellite Meeting on Powder Diffraction of the XV Congress of the IUCr, Toulouse, France, p. 127.Google Scholar
Savitzky, A. and Golay, M. J. (1964). “Smoothing and differentiation of data by simplified least squares procedures”. Anal. Chem. 36, 1627–1639.Google Scholar
Smith, G. S. and Snyder, R. L. (1979). “FN: a criterion for rating powder dif-fraction patterns and evaluating the reliability of powder-pattern indexing”. J. Appl. Crystallogr. 12, 60–65.Google Scholar
Sonneveld, E. J. and Visser, J. W. (1975). “Automatic collection of powder diffraction data from photographs”. J. Appl. Crystallogr. 8, 1–7.Google Scholar
Supplementary material: File

Quintana Mendoza et al. supplementary material

Quintana Mendoza et al. supplementary material 1

Download Quintana Mendoza et al. supplementary material(File)
File 70.7 KB