10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine

• ChemBase编号: 176362
• 分子式: C20H25N3S
• 平均质量: 339.4976
• 单一同位素质量: 339.17691882
• SMILES: c1ccc2c(c1)N(c1c(S2)cccc1)CCCN1CCN(CC1)C
• Canonical SMILES: CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cccc2
• InChI: InChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3
• InChIKey: WEYVCQFUGFRXOM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine
• IUPAC传统名: perazine
• 别名: 10-[3-(4-Methyl-1-piperazinyl)propyl]-10H-phenothiazine Dihydrochloride; 10-[3-(4-Methyl-1-piperazinyl)propyl]phenothiazine Dihydrochloride; 10-[3-(4-Methylpiperazinyl)propyl]phenothiazine Dihydrochloride; NSC 638694; P 725; Perazine Dihydrochloride; Pernazine Dihydrochloride; Psytomin Dihydrochloride; Taxilan Dihydrochloride; Perazine Dihydrochloride

登记号

• CAS号: 5317-37-3
• PubChem SID: 164232272
• PubChem CID: 4744

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.969308
• LogD (pH = 7.4): 2.7331007
• Log P: 3.7780752
• 摩尔折射率: 105.0016 cm^3
• 极化性: 40.473045 Å^3
• 极化表面积: 9.72 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: Methanol
• 外观: Off-White to Pale Blue Solid
• 熔点: 229-231°C

安全信息

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

详细说明

Toronto Research Chemicals - P285800

Antipsychotic.

参考文献

• Hromatka, et al.: Monatsh. Chem., 88, 56 (1957)
• Franke, U., et al.: J. Pharm. Sci., 88, 89 (1957)
• Hashem, H., et al.: Pharmazie, 60, 186 (1957)