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Document Type : Research Paper

Author

Department of Chemistry, Faculty of Science, Arak University, Arak 38156-8-8349, Iran.

Abstract

In this research at the first Promethazine drug and its fullerene derivative were optimized. NMR calculations for the complexes were carried out at the B3LYP/6-31G*quantum chemistry level. Promethazine is not used as an antihistaminic drug for anyone. In the pharmaceutical composition of promethazine (RS) - N, N-dimethyl-1- (10H-Phenothaiazin-10 yl) -propen-2-amino, two aromatic rings In this study, halogens are connected to one of their loops and the changes in the type of halogen at the surface * HF / 6-31G are calculated. The calculations show that, by changing the type of halogen based on the variation of electronegativity of halogens, the aromatase level is as follows increase. R-F> R-Cl> R-Br. The data in tables and graphs and shapes were compared and discussed.

Keywords

[1] S.F. Yin, B.Q. Xu, S.J. Wang, C.F. Ng, C.T. Au, Catal. Lett., 96, 113 (2004).
[2] M.T. Drexler, M. D. Amiridis, Catal. Lett., 79, 175 (2002).
[3] R.S. Varma, Green. Chem., 1, 43 (1999).
[4] S. Samantaray, D.K. Pradhan, G. Hota,B.G. Mishra, Chem. Eng. J., 193, 1 (2012).
[5] S. Li, W. Zhang, M.H. So, C.M. Che, R. Wang, R. Chen, J. Mol. Catal. A: Chem., 359,
81 (2012).
[6] J. Albadi, A. Razeghi, A. Mansournezhad, H. Abbaszadeh, J. Nanoparticles, 9, 83 (2013).
[7] J. Albadi, N. Iravani, F. Shirini, F. Dehghan, J. Chem. Res., 36 (10), 610 (2012)
[8] A.M. Donia, A.A. Atia, W.A. Al-Amrani, A.M. EiNahas, J. Hazard. Mater., 161, 1544
(2009).
[9] A. Hou, B.Chen, J. Dai, K.Zhang, J. Cleaner Prod., 18, 1009 (2010).
[10] A.Afkhami, M.S. Tehrani, H.Bagheri, Desalination, 263, 240 (2010).
[11] G. Crini, Bioresour. Technol., 97, 1061(2006).
 [12] R. Ahmadi, E. Farajpour, Ce. N., 37, 6 (2015).