Investigations on the Desolvation Reaction of Pseudopolymorphic Forms of Hydrocortisone

Suitchmezian V; Jess I; Nather C

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Investigations on the Desolvation Reaction of Pseudopolymorphic Forms of Hydrocortisone

机译：氢化可的松假多晶型脱溶剂反应的研究

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The crystal structures of two pseudopolymorphic modifications of the glucocorticoid hydrocortisone were determined, in addition to the known structures of the 2-propanol (1), methanol (2) and pyridine (3) solvate reported recently. The chloroform solvate (4) and the N,N'-dimethylformanmide solvate (5) crystallize in the monoclinic space group P2(1), with a = 12.5947 (8) angstrom, b = 12.4413 (5)angstrom, c = 14.9884 (11) angstrom, beta =90.571 (9)degrees, V = 2348.5(2) angstrom(3) for (4) and a = 13.4186 (10) angstrom, b = 6.0878 (3) angstrom, c = 14.6595 (11) angstrom, beta = 104.711 (10)degrees, V = 1158.27(14) angstrom(3) for 5. The crystal structures of 1, 3, and 5 are isotypic and are very similar to that of the thermodynamically metastable solvent free modification III of hydrocortisone. The removal of solvents from the pseudopolymorphic forms at elevated temperatures results in the formation of the thermodynamically most stable form I or the metastable form H of hydrocortisone. For the methanol solvate, the desolvation reaction indicates the formation of a new modification of this drug. In contrast, the removal of the solvent from the N,N'-dimethylformamide solvate (5) at room-temperature leads to the formation of the metastable form III of hydrocortisone. These results indicate a smooth reaction pathway for the desolvation reactions of the solvates into the solvent free modifications of hydrocortisone.

机译：除了最近报道的2-丙醇（1），甲醇（2）和吡啶（3）溶剂化物的已知结构外，还测定了糖皮质激素氢化可的松的两个假多晶型修饰的晶体结构。氯仿溶剂化物（4）和N，N'-二甲基甲酰胺溶剂化物（5）在单斜空间群P2（1）中结晶，a = 12.5947（8）埃，b = 12.4413（5）埃，c = 14.9884（ 11）埃，β= 90.571（9）度，对于（4），V = 2348.5（2）埃（3），a = 13.4186（10）埃，b = 6.0878（3）埃，c = 14.6595（11）埃，对于5，β= 104.711（10）度，V = 1158.27（14）埃（3）。1、3和5的晶体结构是同型的，与氢化可的松的热力学亚稳无溶剂修饰III非常相似。。在高温下从假多晶型形式中除去溶剂导致形成氢化可的松的热力学上最稳定的形式I或亚稳形式H。对于甲醇溶剂化物，去溶剂化反应表明该药物的新修饰形式的形成。相反，在室温下从N，N′-二甲基甲酰胺溶剂化物（5）中除去溶剂导致氢化可的松的亚稳形式III的形成。这些结果表明溶剂化物去氢可的松无溶剂改性的去溶剂化反应的平滑反应路径。

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《Crystal growth & design》 |2009年第2期|共9页
作者
Suitchmezian V; Jess I; Nather C;
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正文语种 eng
中图分类晶体学;
关键词
TRIAMCINOLONE DIACETATE; METHANOL SOLVATE; DRUG SUBSTANCES; POLYMORPHISM; CRYSTAL;

机译：三乙酸二硬脂酸酯;甲醇溶剂化物;药物;多态性;晶体;

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1. Investigations on the Desolvation Reaction of Pseudopolymorphic Forms of Hydrocortisone [J] . Suitchmezian V, Jess I, Nather C Crystal growth & design . 2009,第2期

机译：氢化可的松假多晶型脱溶剂反应的研究
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Investigations on the Desolvation Reaction of Pseudopolymorphic Forms of Hydrocortisone

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