[3-(2-chloro-10H-phenothiazin-10-yl)propyl](13C,2H3)methylmethylamine hydrochloride

• ChemBase编号: 164704
• 分子式: C17H20Cl2N2S
• 平均质量: 356.31775484
• 单一同位素质量: 355.07577985
• SMILES: c1cccc2c1N(c1c(S2)ccc(c1)Cl)CCCN(C)[13CH3].Cl
• Canonical SMILES: [13CH3]N(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C.Cl
• InChI: InChI=1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H/i1+1
• InChIKey: FBSMERQALIEGJT-YTBWXGASSA-N

名称和登记号

名称

• IUPAC标准名: [3-(2-chloro-10H-phenothiazin-10-yl)propyl](^1^3C,^2H₃)methylmethylamine hydrochloride
• IUPAC传统名: [3-(2-chlorophenothiazin-10-yl)propyl](^1^3C,^2H₃)methylmethylamine hydrochloride
• 别名: 2-Chloro-N,N-(dimethyl-13C,d3)-10H-phenothiazine-10-propanamine Hydrochloride; 2-Chloro-10-[3-(dimethylamino-13C,d3)propyl]phenothiazine Hydrochloride; Klorproman-13C,d3; Marazine-13C,d3; Norcozine-13C,d3; Torazina-13C,d3; Tranzene-13C,d3; Chlorpromazine-13C,d3 Hydrochloride

登记号

• PubChem SID: 162258839
• PubChem CID: 71314836

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.2476761
• LogD (pH = 7.4): 2.739641
• Log P: 4.5350003
• 摩尔折射率: 93.7563 cm^3
• 极化性: 35.9708 Å^3
• 极化表面积: 6.48 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: White Solid
• 熔点: 193-195°C

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - C424753

Labelled Chlorpromazine (C424750). Used as an antiemetic; antipsychotic.

参考文献

• Anden, N.-E., et al.: Eur. J. Pharmacol., 11, 303 (1970)
• Curzon, G., et al.: Trends Pharmacol. Sci., 11, 61 (1970)