76630-71-2
中文名称
NALTREXONE-3-GLUCURONIDE
英文名称
NALTREXONE-3-GLUCURONIDE
CAS
76630-71-2
分子式
C26H31NO10
分子量
517.53
MOL 文件
76630-71-2.mol
76630-71-2 结构式
基本信息
英文别名
NALTREXONE-3-GLUCURONIDENaltrexone-3-β-D-glucuronide
Naltrexone 3-O--D-Glucuronide
Naltrexone 3-O-β-D-Glucuronide
Naltrexone 3-O-b-D-Glucuronide
Naltrexone 3-O-β-D-Glucuronide (1.0 mg/ml in Methanol)
(5a)-17-(Cyclopropylmethyl)-4,5-epoxy-14-hydroxy-6-oxomorphinan-3-yl -D-Glucopyranosiduronic Acid
(5α)-17-(CyclopropylMethyl)-4,5-epoxy-14-hydroxy-6-oxoMorphinan-3-yl β-D-Glucopyranosiduronic Acid
β-D-Glucopyranosiduronic acid, (5α)-17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-6-oxomorphinan-3-yl
(5a)-17-(Cyclopropylmethyl)-4,5-epoxy-14-hydroxy-6-oxomorphinan-3-yl b-D-Glucopyranosiduronic Acid
物理化学性质
熔点>132°C (dec.)
沸点807.661±65.00 °C(Press: 760.00 Torr)(predicted)
密度1.656±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
储存条件Hygroscopic, -20°C Freezer, Under Inert Atmosphere
溶解度Methanol (Slightly)
酸度系数(pKa)2.771±0.70(predicted)
形态Solid
颜色Off-White to Pale Beige
主要应用forensics and toxicology
InChIKeyKCSKQJYZSCIQRR-ODTDCTFRSA-N
SMILESN2([C@H]3[C@]4([C@@]5([C@@H](Oc6c5c(ccc6O[C@@H]7O[C@@H]([C@H]([C@@H]([C@H]7O)O)O)C(=O)O)C3)C(=O)CC4)CC2)O)CC1CC1