10-{3-[bis(2H3)methylamino]-2-methylpropyl}-10H-phenothiazine-2-carbonitrile

• ChemBase编号: 165055
• 分子式: C19H21N3S
• 平均质量: 323.45514
• 单一同位素质量: 323.14561869
• SMILES: c1ccc2c(c1)N(c1c(S2)ccc(c1)C#N)CC(CN(C)C)C
• Canonical SMILES: N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1
• InChI: InChI=1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3
• InChIKey: SLFGIOIONGJGRT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 10-{3-[bis(^2H₃)methylamino]-2-methylpropyl}-10H-phenothiazine-2-carbonitrile
• IUPAC传统名: 10-{3-[bis(^2H₃)methylamino]-2-methylpropyl}phenothiazine-2-carbonitrile
• 别名: 10-[3-(Dimethylamino-d6)-2-methylpropyl]-10H-phenothiazine-2-carbonitrile; 2-Cyano-10-[(3-dimethylamino-d6)-2-methylpropyl)phenothiazine; Ciamatil-d6; Cianatil-d6; Cyamemazin-d6; Cyamemazine-d6; Cyamepromazine-d6; Cyamepromezine-d6; F. I. 6229-d6; Kyamepromazine-d6; R.P. 7204-d6; TH 2602-d6; Cyamemazine-d6

登记号

• CAS号: 1216608-24-0
• PubChem SID: 162259188
• PubChem CID: 49849604

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.90487546
• LogD (pH = 7.4): 2.2550392
• Log P: 4.2663755
• 摩尔折射率: 99.0895 cm^3
• 极化性: 37.804035 Å^3
• 极化表面积: 30.27 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: Refrigerator

详细说明

Toronto Research Chemicals - C951502

Labelled Cyamemazine is an anxiolytic antipsychotic, which reduces ethanol withdrawal symptoms.

参考文献

• Robinson, et al.: J. Pharm. Pharmacol., 18, 19 (1966)
• Miller, L., et al.: J. Pharmacol. Exp. Ther., 246, 170 (1966)
• Podhorna, J., et al.: Curr. Pharm. Des., 8, 23 (1966)
• Hameg, A., et al.: Biochem. Pharmacol., 65, 435 (1966)