An experimental and computational study on the epimeric contribution to the infrared spectrum of budesonide

被引：2
作者：
Ali, H. R. H. [1 ,2 ]
Edwards, H. G. M. [3 ]
Kendrick, J. [4 ]
Munshi, T. [3 ]
Scowen, I. J. [3 ]
机构：
[1] Univ Assiut, Fac Pharm, Dept Pharmaceut Analyt Chem, Assiut 71526, Egypt
[2] Gakushuin Univ, Fac Sci, Dept Chem, Toshima Ku, Tokyo 1718588, Japan
[3] Univ Bradford, Chem & Forens Sci Univ Analyt Ctr, Bradford BD7 1DP, W Yorkshire, England
[4] Univ Bradford, Inst Pharmaceut Innovat, Bradford BD7 1DP, W Yorkshire, England
来源：
DRUG TESTING AND ANALYSIS | 2010年 / 2卷 / 9-10期
关键词：
budesonide; epimers; infrared; quantum chemical calculations; pharmaceuticals; INFLAMMATORY-BOWEL-DISEASE; HEMISULFATE; DENSITY;
D O I：
10.1002/dta.152
中图分类号：
Q5 [生物化学];
学科分类号：
071010 ; 081704 ;
摘要：
Budesonide is a mixture of 22R and 22S epimers. The epimeric content of budesonide was reported in both British and European pharmacopoeias to be within the range of 60-49/40-51 for R and S epimers, respectively. In this work, contribution of the two epimers to the overall infrared spectrum of budesonide has been investigated by quantum chemical calculations. Copyright (C) 2010 John Wiley & Sons, Ltd.
引用
收藏
页码：447 / 451
页数：5
相关论文
共 21 条
  • [1] X-RAY STUDY OF BUDESONIDE - MOLECULAR-STRUCTURES AND SOLID-SOLUTIONS OF (22S) AND (22R) EPIMERS OF 11-BETA,21-DIHYDROXY-16-ALPHA,17-ALPHA-PROPYLMETHYLENEDIOXY-1,4-PREGNADIENE-3,20-DIONE
    ALBERTSSON, J
    OSKARSSON, A
    SVENSSON, C
    [J]. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1978, 34 (OCT): : 3027 - 3036
  • [2] Vibrational spectroscopic study of budesonide
    Ali, H. R. H.
    Edwards, H. G. M.
    Kendrick, J.
    Munshi, T.
    Scowen, I. J.
    [J]. JOURNAL OF RAMAN SPECTROSCOPY, 2007, 38 (07) : 903 - 908
  • [3] Vibrational spectroscopic study of salbutamol hemisulphate
    Ali, H. R. H.
    Edwards, H. G. M.
    Kendrick, J.
    Scowen, I. J.
    [J]. DRUG TESTING AND ANALYSIS, 2009, 1 (1-2) : 51 - 56
  • [4] Computational and vibrational spectroscopic studies of ipratropium bromide
    Ali, H. R. H.
    Edwards, H. G. M.
    Kendrick, J.
    Scowen, I. J.
    [J]. DRUG TESTING AND ANALYSIS, 2009, 1 (1-2) : 73 - 80
  • [5] Vibrational spectroscopic study of terbutaline hemisulphate
    Ali, H. R. H.
    Edwards, H. G. M.
    Kendrick, J.
    Scowen, I. J.
    [J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2009, 72 (04) : 715 - 719
  • [6] Vibrational spectroscopic study of fluticasone propionate
    Ali, H. R. H.
    Edwards, H. G. M.
    Kendrick, J.
    Scowen, I. J.
    [J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2009, 72 (02) : 244 - 247
  • [7] DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR
    BECKE, AD
    [J]. PHYSICAL REVIEW A, 1988, 38 (06): : 3098 - 3100
  • [8] INFLUENCE OF 16-ALPHA,17-ALPHA-ACETAL SUBSTITUTION AND STEROID NUCLEUS FLUORINATION ON THE TOPICAL TO SYSTEMIC ACTIVITY RATIO OF GLUCOCORTICOIDS
    BRATTSAND, R
    THALEN, A
    ROEMPKE, K
    KALLSTROM, L
    GRUVSTAD, E
    [J]. JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY, 1982, 16 (06) : 779 - 786
  • [9] *EUR DEP QUAL MED, 2005, EUR PHARM
  • [10] The use of quantum chemistry in pharmaceutical research as illustrated by case studies of indometacin and carbarnazepine
    Gordon, Keith C.
    McGoverin, Cushla M.
    Strachan, Clare J.
    Rades, Thomas
    [J]. JOURNAL OF PHARMACY AND PHARMACOLOGY, 2007, 59 (02) : 271 - 277
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