2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole hydrochloride

• ChemBase编号: 172366
• 分子式: C11H13Cl3N2O
• 平均质量: 295.59272
• 单一同位素质量: 294.00934609
• SMILES: c1(c(c(ccc1)Cl)OC(C1=NCCN1)C)Cl.Cl
• Canonical SMILES: CC(C1=NCCN1)Oc1c(Cl)cccc1Cl.Cl
• InChI: InChI=1S/C11H12Cl2N2O.ClH/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13;/h2-4,7H,5-6H2,1H3,(H,14,15);1H
• InChIKey: DWWHMKBNNNZGHF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole hydrochloride
• IUPAC传统名: lofexidine hydrochloride
• 别名: 2-[1-(2,6-Dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole Hydrochloride; MDL-14042A; Ba-168; Britlofex; Lofetensin; Loxacor; Lofexidine Hydrochloride; 2-(1-(2,6-dichlorophenoxy)ethyl)-2-imidazoline hydrochloride

登记号

• CAS号: 21498-08-8
• PubChem SID: 164228276
• PubChem CID: 30667

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.2664197
• LogD (pH = 7.4): 0.89805615
• Log P: 2.6630576
• 摩尔折射率: 64.413 cm^3
• 极化性: 25.174986 Å^3
• 极化表面积: 33.62 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Ethanol; Methanol; Water
• 外观: Light Yellow Solid
• 熔点: >150°C(dec.)

安全信息

• 保存条件: -20°C Freezer

药理学性质

• 作用靶点: Others

产品相关信息

• 纯度: 98%
• 成盐信息: hydrochloride

详细说明

Toronto Research Chemicals - L469390

α2-Adrenoceptor agonist related structurally to Clonidine. Used in treatment of opioid withdrawal symptoms; antihypertensive.

参考文献

• Velly, J., et al.: J. Pharmacol., 8, 351 (1977)
• Jarrot, B., et al.: Biochem. Pharmacol., 28, 141 (1977)
• Birch, P., at al.: Brit. J. Pharmacol., 68, 107 (1977)