Estimation of the ionization pK(a) of pharmaceutical substances using the computer program SPARC

被引：42

作者：

Hilal, SH

ElShabrawy, Y

Carreira, LA

Karickhoff, SW

Toubar, SS

Rizk, M

机构：

[1] UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602

[2] US EPA,ENVIRONM RES LAB,ATHENS,GA 30605

[3] UNIV MANSOURA,FAC PHARM,DEPT ANALYT CHEM,MANSOURA 35516,EGYPT

来源：

TALANTA | 1996年 / 43卷 / 04期

关键词：

SPARC computer program; pK(a); pharmaceuticals;

D O I：

10.1016/0039-9140(95)01789-5

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

The computer program SPARC was used to calculate the pK(a) values of some important pharmaceutical substances. The SPARC models proved to be suitable for estimating the pK(a) values of beta-adrenergic blocking agents and benzodiazepine drugs. Ionization macroconstants, microconstants, zwitterionic equilibria, speciation curves as a function of the pH and the isoelectric points of a semi-essential amino acid, arginine, and an anti-inflammatory, niflumic acid, were calculated.

引用

页码：607 / 619

页数：13

共 18 条

[1]

Albert A., 1984, DETERMINATION IONIZA

[2]

[Anonymous], 1989, EXTRA PHARMACOPOEIA

[3] ACID-BASE EQUILIBRIA AND ASSAY OF BENZODIAZEPINES IN ACETONITRILE MEDIUM [J].