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化合物简介
Tetrabenazine is a drug for the symptomatic treatment of hyperkinetic movement disorders. It is marketed under the trade names Nitoman in Canada and Xenazine in New Zealand and some parts of Europe, and is available as Xenazine in the United States as an orphan drug. On August 15, 2008, the U.S. Food and Drug Administration approved the use of tetrabenazine to treat chorea associated with Huntington's disease. Although other drugs had been used \"off label,\" tetrabenazine was the first approved treatment for Huntington's disease in the U.S. The compound has been known since the 1950s.
基本信息
CAS:58-46-8
中文别名:丁苯喹嗪;顺式-9,10-二甲氧基-1,3,4,6,7,11B-六氢-3-异丁基-2H-苯并[A]喹嗪-2-酮;3-异丁基-9,10-二甲氧基-1,3,4,6,7,11b-六氢-2H-苯并[a]喹啉-2-酮;
英文别名:2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-;TETRABENAZINE;Tetrabenazine,(3R,11bR)-rel-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one;Nitoman;Rubigen;Ro 1-9569;
分子式:C19H27NO3
分子量:317.423
精确质量:317.199
Psa:38.77
Logp:3.176
中文别名:丁苯喹嗪;顺式-9,10-二甲氧基-1,3,4,6,7,11B-六氢-3-异丁基-2H-苯并[A]喹嗪-2-酮;3-异丁基-9,10-二甲氧基-1,3,4,6,7,11b-六氢-2H-苯并[a]喹啉-2-酮;
英文别名:2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-;TETRABENAZINE;Tetrabenazine,(3R,11bR)-rel-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one;Nitoman;Rubigen;Ro 1-9569;
分子式:C19H27NO3
分子量:317.423
精确质量:317.199
Psa:38.77
Logp:3.176
编号系统
UNII:Z9O08YRN8O
物化性质
密度:1.12
沸点:448.9ºC at 760mmHg
熔点:128-130ºC
闪点:225.3ºC
折射率:1.554
储存条件:2-8ºC
沸点:448.9ºC at 760mmHg
熔点:128-130ºC
闪点:225.3ºC
折射率:1.554
储存条件:2-8ºC
安全信息
危险类别码:R22
海关编码:2933990090
危险品运输编码:UN 3249
危险类别:6.1(b)
包装等级:III
危险品标志:Xn
信号词:Warning
危险性描述:H302
危险标志:GHS07
海关编码:2933990090
危险品运输编码:UN 3249
危险类别:6.1(b)
包装等级:III
危险品标志:Xn
信号词:Warning
危险性描述:H302
危险标志:GHS07
生产方法及用途
合成路线
-
参考文献
NEUROCRINE BIOSCIENCES, INC. Patent: WO2008/58261 A1, 2008 ; Location in patent: Page/Page column 13-14 ; WO 2008/058261 A1
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

Mass spectrum (electron ionization)
