127472-42-8
中文名称
格拉司琼相关物质A
英文名称
exo-Granisetron (Granisetron Impurity F)
CAS
127472-42-8
分子式
C18H24N4O
分子量
312.415
MOL 文件
127472-42-8.mol
更新日期
2024/04/28 11:58:04
127472-42-8 结构式
基本信息
中文别名
格拉司琼杂质 A格拉司琼相关物质A
英文别名
GRANISETRON IMPURITY AGranisetron Related CoMpound A
1-Desmethyl 2-Methyl Granisetron (Granisetron Impurity A)
endo-N-(9-Methyl-9-Azabicyclo[3.3.1]non-3-yl)-2-methyl-2H-indazole-3-carboxamide
2-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-2H-indazole-3-carboxamide
2-Methyl-N-[(1R,3r,5S)-9-Methyl-9-azabicyclo[3.3.1]non-3-yl]-2H-indazole-3-carboxaMide
Granisetron Related Compound A (15 mg) (2-methyl-N-[(1R,3r,5S)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-2H-indazole-3-carboxamide)
所属类别
分析化学：药典标准品和杂质标准品物理化学性质
熔点245-248°C
沸点552.3±40.0 °C(Predicted)
密度1.33±0.1 g/cm3(Predicted)
储存条件-20°C冷冻
溶解度Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
酸度系数(pKa)13.26±0.20(Predicted)
外观White to light yellow Solid
主要应用pharmaceutical
InChI1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)20-22(17)2/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)
InChIKeyINMQDEMSQWWCSB-UHFFFAOYSA-N
SMILES[n]1(nc2c(c1C(=O)NC3CC4N(C(C3)CCC4)C)cccc2)C
安全数据
警示词警告
危险性描述H302
防范说明P301+P312+P330
WGK GermanyWGK 3
海关编码2933399090
存储类别11 - Combustible Solids
危险性类别Acute Tox. 4 Oral