1-methyl-N-{9-methyl-9-azabicyclo[3.3.1]nonan-3-yl}-1H-indazole-3-carboxamide hydrochloride

• ChemBase编号: 72630
• 分子式: C18H25ClN4O
• 平均质量: 348.8703
• 单一同位素质量: 348.17168912
• SMILES: c1c2c(ccc1)n(nc2C(=O)NC1CC2CCCC(C1)N2C)C.Cl
• Canonical SMILES: CN1C2CCCC1CC(C2)NC(=O)c1nn(c2c1cccc2)C.Cl
• InChI: InChI=1S/C18H24N4O.ClH/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17;/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23);1H
• InChIKey: QYZRTBKYBJRGJB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-N-{9-methyl-9-azabicyclo[3.3.1]nonan-3-yl}-1H-indazole-3-carboxamide hydrochloride
• IUPAC传统名: GRAN hydrochloride; granisetron hydrochloride
• 别名: 1-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide Hydrochloride; BRL-43694A; 1-METHYL-1H-INDAZOLE-3-CARBOXYLIC ACID (9-METHYL-9-AZA-BICYCLO[3.3.1]NON-3-YL)-AMIDE HYDROCHLORIDE; Kytril; Granisetron Hydrochloride

登记号

• CAS号: 107007-99-8
• PubChem SID: 162037555
• PubChem CID: 65264

理论计算性质

• Acid pKa: 14.750399
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.3230767
• LogD (pH = 7.4): 0.2712485
• Log P: 1.8768568
• 摩尔折射率: 101.8257 cm^3
• 极化性: 35.897053 Å^3
• 极化表面积: 50.16 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol; Water
• 外观: White to Off-White Sold
• 熔点: 290-292°C

安全信息

• 保存条件: -20°C; -20°C Freezer

药理学性质

• 作用靶点: 5-HT receptor

产品相关信息

• 纯度: 98%
• 成盐信息: Hydrochloride

详细说明

Selleck Chemicals - S1345

Research Area: Neurological Disease
Biological Activity:
Granisetron HCl is a serotonin 5-HT3 receptor antagonist used as an antiemetic to treat nausea and vomiting following chemotherapy. Its main effect is to reduce the activity of the vagus nerve. It does not have much effect on vomiting due to motion sickness. This drug does not have any effect on dopamine receptors or muscarinic receptors. [1]

Toronto Research Chemicals - G780000

A specific serotonin (5HT3) receptor antagonist. Used as an antiemetic. Granisetron HCl is a serotonin 5-HT3 receptor antagonist used as an antiemetic to treat nausea and vomiting following chemotherapy. Its main effect is to reduce the activity of the va

参考文献

• en.wikipedia.org/wiki/Granisetron_hydrochloride
• Kilpatrick, G.J., et al.: Nature, 330, 746 (1987)
• Durig, T., et al.: J. Pharm. Sci., 86, 1092 (1987)
• Yuasa, H., et al.: Chem. Pharm. Bull., 44, 1361 (1987)