4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine

• ChemBase编号: 174845
• 分子式: C9H12ClN5O
• 平均质量: 241.67748
• 单一同位素质量: 241.07303771
• SMILES: c1(c(nc(nc1Cl)C)OC)NC1=NCCN1
• Canonical SMILES: COc1nc(C)nc(c1NC1=NCCN1)Cl
• InChI: InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)
• InChIKey: WPNJAUFVNXKLIM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine
• IUPAC传统名: moxonidine
• 别名: 4-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methyl-5-pyrimidinamine; 2-(6-Chloro-4-methoxy-2-methylpyrimidin-5-ylamino)-2-imidazoline; Lomox; Moxon; Norcynt; Normoxocin; Nucynt; Physiotens; Moxonidine

登记号

• CAS号: 75438-57-2
• PubChem SID: 164230755
• PubChem CID: 4810

理论计算性质

• 质子受体: 6
• 质子供体: 2
• LogD (pH = 5.5): -0.1555721
• LogD (pH = 7.4): 1.3023546
• Log P: 1.5387771
• 摩尔折射率: 63.4107 cm^3
• 极化性: 22.676504 Å^3
• 极化表面积: 71.43 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO
• 外观: White Solid
• 熔点: 206-210°C (dec.)

安全信息

• 保存条件: Refrigerator

药理学性质

• 作用靶点: Others

产品相关信息

• 成盐信息: Free Base

详细说明

Toronto Research Chemicals - M745800

Moxonidine is an antihypertensive agent.

参考文献

• Rayment, S., et al.: Brit. J. Pharmacol., 160, 1727 (2010)
• Taksande, B., et al.: Eur. J. Pharmacol., 637, 89 (2010)
• Nasr, M., et al.: Vas. Pharmacol., 53, 53 (2010)