8-甲基-8-氮杂双环[3.2.1]辛-3-基 3,5-二氯苯甲酸甲酯甲磺酸盐一水合物（MDL 72222）的结构，一种神经元 5-羟色胺受体拮抗剂。
Structure of 8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dichlorobenzoate methylsulfate monohydrate (MDL 72222), an antagonist at neuronal 5-HT receptors.
作者信息
Carpy A, Lemrabett A, Colleter J C
机构信息
Laboratoire de Chimie Analytique, UA 605 CNRS, Faculté de Pharmacie, Bordeaux, France.
出版信息
Acta Crystallogr C. 1988 Mar 15;44 ( Pt 3):495-7. doi: 10.1107/s0108270187011089.
C15H18Cl2NO2+.CH3SO3-.H2O, Mr = 428.33, triclinic, P1, a = 7.457 (2), b = 8.389 (1), c = 15.916 (3) A, alpha = 79.59 (1), beta = 85.63 (2), gamma = 87.16 (2) degrees, V = 975.8 (2) A3, Z = 2, Dx = 1.46 g cm-3, lambda (Cu K alpha) = 1.54178 A, mu = 42.32 cm-1, F(000) = 448, room temperature, R = 0.041 for 2419 independent observed reflections. The cation can be described in terms of the tropane group and an approximately planar dichlorobenzoate group. This conformation is compared with those of some structurally related anticholinergic agents.
C15H18Cl2NO2⁺·CH3SO3⁻·H2O，Mr = 428.33，三斜晶系，P1，a = 7.457(2)，b = 8.389(1)，c = 15.916(3) Å，α = 79.59(1)，β = 85.63(2)，γ = 87.16(2)°，V = 975.8(2) ų，Z = 2，Dx = 1.46 g cm⁻³，λ(Cu Kα) = 1.54178 Å，μ = 42.32 cm⁻¹，F(000) = 448，室温，对于2419个独立观测反射，R = 0.041。阳离子可根据托烷基团和一个近似平面的二氯苯甲酸酯基团来描述。将此构象与一些结构相关的抗胆碱能药物的构象进行了比较。
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