99672-64-7
中文名称
1,3,4,6,7,11B-HEXAHYDRO-1-ISOBUTYL-9,10-DIMETHOXY-2H-BENZO[A]QUINOLIZIN-2-ONE
英文名称
Tetrabenazine Related Impurity 1
CAS
99672-64-7
分子式
C19H27NO3
分子量
317.42
MOL 文件
99672-64-7.mol
更新日期
2024/12/05 09:16:02
99672-64-7 结构式
基本信息
中文别名
川芎嗪杂质2丁苯那嗪杂质2
丁苯那嗪相关杂质
1-异丁基-9,10-二甲氧基-1,3,4,6,7,11B-六氢-2H-吡啶基[2,1-A]异喹啉-2-酮
英文别名
Tetrabenazine Related ImpurityTetrabenazine Related Impurity 1
rac-3(Desisobutyl)-5-Isobutyl Tetrabenazine
1,3,4,6,7,11b-Hexahydro-1-isobutyl-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one
1-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-pyrido[2,1-a]isoquinolin-2-one
9,10-dimethoxy-1-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
1-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
1-Isobutyl-9,10-dimethoxy-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one
1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-1-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one
2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-1-(2-methylpropyl)-
所属类别
有机原料：杂环化合物物理化学性质
沸点448.9±45.0 °C(Predicted)
密度1.12±0.1 g/cm3(Predicted)
储存条件2-8°C
酸度系数(pKa)6.46±0.40(Predicted)
InChIInChI=1S/C19H27NO3/c1-12(2)9-15-16(21)6-8-20-7-5-13-10-17(22-3)18(23-4)11-14(13)19(15)20/h10-12,15,19H,5-9H2,1-4H3
InChIKeyQHKOTJDXBVOEMS-UHFFFAOYSA-N
SMILESC12=CC(OC)=C(OC)C=C1CCN1C2C(CC(C)C)C(=O)CC1