N,N-bis(2H3)methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide

• ChemBase编号: 179661
• 分子式: C19H21N3O
• 平均质量: 307.38954
• 单一同位素质量: 307.16846231
• SMILES: c1cc(cn2c1nc(c2CC(=O)N(C)C)c1ccc(cc1)C)C
• Canonical SMILES: Cc1ccc(cc1)c1nc2n(c1CC(=O)N(C)C)cc(cc2)C
• InChI: InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
• InChIKey: ZAFYATHCZYHLPB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-bis(^2H₃)methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
• IUPAC传统名: N,N-bis(^2H₃)methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
• 别名: N,N,6-(Trimethyl-d6)-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-acetamide; N,N,6-(Trimethyl-d6)-2-p-tolylimidazol[1,2-a]pyridine-3-acetamide; SL 80-0750; SL 800750; Zolpidem-d6

登记号

• PubChem SID: 164235571
• PubChem CID: 45040706

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.6505303
• LogD (pH = 7.4): 3.0101333
• Log P: 3.0176268
• 摩尔折射率: 93.5837 cm^3
• 极化性: 36.373756 Å^3
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform
• 外观: Off-White Solid
• 熔点: 189-191°C

安全信息

• 保存条件: Controlled Substance, -20°C Freezer

详细说明

Toronto Research Chemicals - Z650002

Deuterated Zolpidem, a selective non-benzodiazepine GABAA receptor agonist. Sedative, hypnotic. Controlled substance (depresssant).

参考文献

• Arbilla, S., et al.: Arch. Pharmacol., 330, 248 (1985)
• Cashman, J.N., et al.: Brit. J. Clin. Pharmacol., 21, 205 (1986)