{2-[1-(4-bromophenyl)-1-phenylethoxy]ethyl}dimethylamine hydrochloride

• ChemBase编号: 167977
• 分子式: C18H23BrClNO
• 平均质量: 384.73832
• 单一同位素质量: 383.06515404
• SMILES: c1c(ccc(c1)C(c1ccccc1)(OCCN(C)C)C)Br.Cl
• Canonical SMILES: CN(CCOC(c1ccc(cc1)Br)(c1ccccc1)C)C.Cl
• InChI: InChI=1S/C18H22BrNO.ClH/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16;/h4-12H,13-14H2,1-3H3;1H
• InChIKey: JUOZATSMKDYYGH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {2-[1-(4-bromophenyl)-1-phenylethoxy]ethyl}dimethylamine hydrochloride
• IUPAC传统名: embramine hydrochloride
• 别名: 2-[1-(4-Bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine Hydrochloride; 2-[(p-Bromo-α-methyl-α-phenylbenzyl)oxy]-N,N-dimethylethylamine Hydrochloride; Bromadryl; Mebrophenhydramine; Mebrophenhydramine hydrochloride; Mebryl; Embramine Hydrochloride

登记号

• CAS号: 13977-28-1
• PubChem SID: 162262109
• PubChem CID: 13059512

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.4346472
• LogD (pH = 7.4): 3.0854478
• Log P: 4.562517
• 摩尔折射率: 92.389 cm^3
• 极化性: 35.834507 Å^3
• 极化表面积: 12.47 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - E521000

Antihistaminic.

参考文献

• Berthon, B., et al.: Biochem. Pharmacol., 47, 789 (1994)
• Hu, Q., et al.: J. Biol. Chem., 274, 33995 (1994)