STRUCTURE OF DEBRISOQUINIUM SULFATE

被引:1
作者
BATES, PA
ISLAM, SA
STERNBERG, MJE
机构
关键词
D O I
10.1107/S010827019200893X
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
3,4-Dihydro-2(1H)-isoquinolinecarboxamidinium sulfate, 2C10H14N3+.SO42-, M(r) = 448.5, monoclinic, C2/c, a = 27.214 (10), b = 6.552 (1), c = 13.241 (1) angstrom, beta = 113.35 (2)degrees, V = 2168 (1) angstrom3, Z = 4, D(x) = 1.375 g cm-3, lambda(Mo Kalpha) = 0.7107 angstrom, mu = 1.81 cm-1, F(000) = 952, room temperature, final R = 0.042 for 2446 unique reflections [1661 observed with I > 3sigma(I)]. The crystal structure consists of a hydrogen-bonded network of debrisoquinium cations and sulfate anions. The relative orientations of the two H atoms on C(4) of debrisoquin, one of which is enzymatically replaced by a hydroxyl group, is discussed.
引用
收藏
页码:300 / 303
页数:4
相关论文
共 7 条
[1]  
Budavari S., 1989, MERCK INDEX ENCY CHE
[2]   ENANTIOSELECTIVITY OF 4-HYDROXYLATION IN EXTENSIVE AND POOR METABOLIZERS OF DEBRISOQUINE [J].
EICHELBAUM, M ;
BERTILSSON, L ;
KUPFER, A ;
STEINER, E ;
MEESE, CO .
BRITISH JOURNAL OF CLINICAL PHARMACOLOGY, 1988, 25 (04) :505-508
[3]  
ISLAM SA, 1991, JCARCINOGENESIS, V12, P2211
[4]   GENETIC-POLYMORPHISM OF SPARTEINE DEBRISOQUINE OXIDATION - A REAPPRAISAL [J].
LENNARD, MS .
PHARMACOLOGY & TOXICOLOGY, 1990, 67 (04) :273-283
[5]  
PFLUGRATH JW, 1989, MADNES VERSION 11
[6]  
SHELDRICK GM, 1976, SHELX PROGRAM CRYSTA