向内-N-(9-甲基-9-氮杂双环[3.3.1]壬烷-3基)-1-甲基-1H-吲唑-3-甲酰胺

9'-Desmethyl Granisetron (Granisetron Impurity C)

HCID 45038885CAS 160177-67-3

子结构检索查找相似结构

基本信息

标准SMILES: Cn1nc(C(=O)NC2CC3CCCC(C2)N3)c2ccccc21
InChIKey: VIGVTDRZHFWDBM-UHFFFAOYSA-N
分子式: C17H22N4O
平均分子量: 298.4 g/mol
单同位素质量: 298.17936132

名称与标识

首选名称: 9'-Desmethyl Granisetron (Granisetron Impurity C)
IUPAC: N-(9-azabicyclo[3.3.1]nonan-3-yl)-1-methylindazole-3-carboxamide
中文名: 向内-N-(9-甲基-9-氮杂双环[3.3.1]壬烷-3基)-1-甲基-1H-吲唑-3-甲酰胺
英文名: Granisetron Impurity C
分子式: C17H22N4O
分子量: 298.38

名称与别名

160177-67-39'-Desmethyl Granisetron (Granisetron Impurity C)N-(9-azabicyclo[3.3.1]nonan-3-yl)-1-methylindazole-3-carboxamideMFCD00872009N-(9-Azabicyclo[3.3.1]nonan-3-yl)-1-methyl-1H-indazole-3-carboxamideGranisetron Impurity CN-{9-azabicyclo[3.3.1]nonan-3-yl}-1-methyl-1H-indazole-3-carboxamideN-{9-AZABICYCLO[3.3.1]NONAN-3-YL}-1-METHYLINDAZOLE-3-CARBOXAMIDEN-(3-endo)-9-Azabicyclo[3.3.1]non-3-yl-1-methyl-1H-indazole-3-carboxamideSCHEMBL9639329DTXSID60661898AKOS027460976

展开更多名称

格拉司琼杂质C格拉司琼杂质4格拉司琼EP杂质C盐酸格拉司琼杂质 C9'-去甲基杂质C盐酸格拉司琼EP杂质C盐酸格拉司琼杂质C(EP) 标准品格拉司琼杂质3(格拉司琼EP杂质C)9'-去甲基格拉司琼(格拉司琼杂质C)N-(3-内酰胺)-9-氮杂双环[3.3.1]非-3-基-1-甲基-1H-吲唑-3-甲酰胺Granisetron EP impurity CN-[(1R,3r,5S)-9-Azabicyclo[3.3.1]noGranisetron Hydrochloride Impurity CGranisetron Hydrochloride EP Impurity C9’-Desmethyl Granisetron (Granisetron Impurity C)Granisetron Impurity 3（Granisetron EP Impurity C）

Endo-N-(9-azabicyclo[3.3.1]non-3-yl)-1-methyl-1H-indazole-3-carboxamideID21276DB-288073N-(9-azabicyclo[3.3.1]nonan-3-yl)-1-methyl-indazole-3-carboxamideN-(9-azabicyclo[3.3.1]non-3-yl)-1-methyl-1H-indazole-3-carboxamideN-((3-endo)-9-Azabicyclo[3.3.1]nonan-3-yl)-1-methyl-1H-indazole-3-carboxamide

数据库标识

CAS: 160177-67-3
PubChem CID: 45038885
DTXSID: DTXSID60661898

性质

结构计算性质

XLogP: 2.3
极性表面积: 59 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 2
重原子: 22
形式电荷: 0
复杂度: 417

物理化学性质

熔点: 167 · 167-169°C
沸点: 549.054 · 549.054±40.00 °C(Press: 760.00 Torr)(predicted)
密度: 1.397 · 1.397±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
储存条件: -20 °C · -20°C Freezer
溶解度: Chloroform (Slightly), Methanol (Slightly)
酸度系数(pKa): 12.381 · 12.381±0.20(predicted)
形态: Solid
颜色: White to Pale Yellow
CAS 数据库: 160177 · 160177-67-3

化学与工业

供应商33 家

济南百隆化学有限公司[email protected] · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

关联笔记

加载中…