N-(2-bromo-6-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine hydrochloride

• ChemBase编号: 177592
• 分子式: C9H10BrClFN3
• 平均质量: 294.5512032
• 单一同位素质量: 292.97306524
• SMILES: c1(c(c(ccc1)F)NC1=NCCN1)Br.Cl
• Canonical SMILES: Fc1cccc(c1NC1=NCCN1)Br.Cl
• InChI: InChI=1S/C9H9BrFN3.ClH/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h1-3H,4-5H2,(H2,12,13,14);1H
• InChIKey: SDXVSIWCVTYYQN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-bromo-6-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine hydrochloride
• IUPAC传统名: romifidine hydrochloride
• 别名: N-(2-Bromo-6-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine Hydrochloride; STH 2130Cl; Sedivet; Romifidine Hydrochloride

登记号

• CAS号: 65896-14-2
• PubChem SID: 164233502
• PubChem CID: 20226420

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 0.008048988
• LogD (pH = 7.4): 1.4529923
• Log P: 2.188454
• 摩尔折射率: 57.3184 cm^3
• 极化性: 20.764687 Å^3
• 极化表面积: 36.42 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - R640050

An α2 agonist use as a sedative and analgesic.

参考文献

• Celly, C., et al.: J. Vet. Pharmacol. Ther., 20, 464 (1997)
• Nazifi, S., et al.: Res. Vet. Sci., 65, 83 (1997)