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81149-12-4

中文名称 (5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone
英文名称 (5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone
CAS 81149-12-4
分子式 C32H37N5O6
分子量 587.67
MOL 文件 81149-12-4.mol
81149-12-4 结构式 81149-12-4 结构式

基本信息

英文别名
Beta-seco-Dihydroergotamine
(5a,10a)-1-Demethyl-9,10-dihydro-12-hydroxy-2-methyl-5-(phenylmethyl)-2,3(2H,3H)-secoergotaman-3,3,6
(5'α,10α)-1-DeMethyl-9,10-dihydro-12'-hydroxy-2'-Methyl-5'-(phenylMethyl)-2,3(2H,3H)-secoergotaMan-3,3',6',18-tetrone
(2R,4aR,10bR)-7-Amino-N-((2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-4-methyl-6-oxo-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-2-carboxamide
Benzo[f]quinoline-2-carboxamide, 7-amino-1,2,3,4,4a,5,6,10b-octahydro-4-methyl-N-[(2R,5S,10aS,10bS)-octahydro-10b-hydroxy-2-methyl-3,6-dioxo-5-(phenylmethyl)-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-6-oxo-, (2R,4aR,10bR)-

物理化学性质

熔点>165°C (dec.)
沸点886.0±65.0 °C(Predicted)
密度1.45±0.1 g/cm3(Predicted)
储存条件-86°C Freezer, Under inert atmosphere
溶解度可溶于氯仿(少许)、甲醇(少许)
酸度系数(pKa)9?+-.0.60(Predicted)
形态固体
颜色淡黄色至浅棕色
稳定性对温度敏感
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