7-Hydroxy Granisetron Hydrochloride

7-Hydroxy-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide--hydrogen chloride (1/1)

HCID 71749058CAS 133841-04-0

子结构检索查找相似结构

基本信息

标准SMILES: CN1C2CCCC1CC(NC(=O)c1nn(C)c3c(O)cccc13)C2.Cl
InChIKey: MBSNWMLKHVHIJB-UHFFFAOYSA-N
分子式: C18H25ClN4O2
平均分子量: 364.9 g/mol
单同位素质量: 364.16660372

名称与标识

首选名称: 7-Hydroxy-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide--hydrogen chloride (1/1)
IUPAC: 7-hydroxy-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride
中文名: 7-Hydroxy Granisetron Hydrochloride
英文名: 7-Hydroxy Granisetron Hydrochloride
分子式: C18H25ClN4O2
分子量: 364.8697

名称与别名

7-Hydroxy Granisetron Hydrochloride133841-04-0DTXSID808577767-Hydroxy-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide--hydrogen chloride (1/1)7-Hydroxy-1-Methyl-N-[(3-endo)-9-Methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxaMide Hydrochloride

数据库标识

CAS: 133841-04-0
PubChem CID: 71749058
DTXSID: DTXSID80857776

性质

结构计算性质

极性表面积: 70.4 Å²
氢键供体: 3
氢键受体: 4
可旋转键: 2
重原子: 25
形式电荷: 0
复杂度: 474

物理化学性质

熔点: 220 °C · >220°C (dec.)
储存条件: -20 °C · -20°C Freezer, Under inert atmosphere
溶解度: Methanol (Slightly), Water (Slightly, Sonicated)
形态: Solid
颜色: Off-White to Pale Purple

化学与工业

供应商7 家

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

凯试(上海)科技有限公司021-50135380 · [email protected]

上海陶素生化科技有限公司021-33632979 · [email protected]

Cato Research Chemicals Inc.020-81960175 · [email protected]

BOC Sciences16314854226; +8616314854226 · [email protected]

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