[3-(2-chloro-10H-phenothiazin-10-yl)propyl]diethylamine

• ChemBase编号: 130386
• 分子式: C19H23ClN2S
• 平均质量: 346.91732
• 单一同位素质量: 346.12704743
• SMILES: Clc1cc2N(c3c(Sc2cc1)cccc3)CCCN(CC)CC
• Canonical SMILES: CCN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)CC
• InChI: InChI=1S/C19H23ClN2S/c1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3
• InChIKey: DBOUGBAQLIXZLV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [3-(2-chloro-10H-phenothiazin-10-yl)propyl]diethylamine
• IUPAC传统名: chlorproethazine
• 别名: 2-Chloro-N,N-diethyl-10H-phenothiazine-10-propanamine Hydrochloride; 2-Chloro-10-[3-(diethylamino)propyl]phenothiazine Hydrochloride; Neuriplege; RP 4909; Chlorproethazine Hydrochloride; Chlorproethazine

登记号

• CAS号: 84-01-5; 4611-02-3
• PubChem SID: 162224665
• PubChem CID: 65750
• ATC码: N05AA07
• Chemspider ID: 59173
• KEGG ID: D07308
• 维基百科标题: Chlorproethazine

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.8203888
• LogD (pH = 7.4): 2.9378233
• Log P: 5.248616
• 摩尔折射率: 103.2535 cm^3
• 极化性: 39.660267 Å^3
• 极化表面积: 6.48 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: Off-White Solid
• 熔点: 180-182°C

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - C424700

Topical analgesic.

参考文献

• DeLeo, V., et al.: Arch. Dermatol., 128, 1513 (1992)
• Barbaud, A., et al.: Contact Dermatitis, 44, 373 (1992)
• Traynor, N., et al.: Toxicol. Lett., 158, 220 (1992)