{3-[2-(2H3)methoxy-10H-phenothiazin-10-yl]-2-methylpropyl}dimethylamine hydrochloride

• ChemBase编号: 172866
• 分子式: C19H25ClN2OS
• 平均质量: 364.9326
• 单一同位素质量: 364.13761211
• SMILES: c1ccc2c(c1)N(c1c(S2)ccc(c1)OC)CC(CN(C)C)C.Cl
• Canonical SMILES: COc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1.Cl
• InChI: InChI=1S/C19H24N2OS.ClH/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21;/h5-11,14H,12-13H2,1-4H3;1H
• InChIKey: ODLGFPIWRAEFAN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {3-[2-(^2H₃)methoxy-10H-phenothiazin-10-yl]-2-methylpropyl}dimethylamine hydrochloride
• IUPAC传统名: {3-[2-(^2H₃)methoxyphenothiazin-10-yl]-2-methylpropyl}dimethylamine hydrochloride
• 别名: 2-Methoxy-N,N,β-trimethyl-10H-phenothiazine-10-propanamine-d3 Hydrochloride; 10-[3-(Dimethylamino)-2-methylpropyl]-2-methoxyphenothiazine-d3 MonoHydrochloride; 2-Methoxytrimeprazine-d3 Hydrochloride; 2-Methoxytrimeprazine-d3; rac Methotrimeprazine-d3 Hydrochloride

登记号

• PubChem SID: 164228776
• PubChem CID: 46782142

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.89110804
• LogD (pH = 7.4): 2.2412717
• Log P: 4.252608
• 摩尔折射率: 99.8311 cm^3
• 极化性: 38.48578 Å^3
• 极化表面积: 15.71 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - M260786

Analgesic.

参考文献

• Viaud, et al.: J. Pharm. and Pharmacol., 6, 361 (1954)