Crystal Structure of Methylnaltrexone bromide methanol monosolvate

Id2233939
Common nameMethylnaltrexone bromide methanol monosolvate
Chemical name(4<i>R</i>,4a<i>S</i>,7a<i>R</i>,12b<i>S</i>)-3-cyclopropylmethyl- 4a,9-hydroxy-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1<i>H</i>-4,12- methanobenzofuro[3,2-<i>e</i>]isoquinolin-3-ium bromide methanol monosolvate
a (Å)7.3335(11)
b (Å)12.956(2)
c (Å)21.506(3)
α (°)90.00
β (°)90.00
γ (°)90.00
V (Å3)2043.3(5)
Space groupP 21 21 21
Temperature (K)113(2)
Rint0.0237
Publication: Acta Crystallographica Section E (2012) 68, 3 o827