4-[(2,3-dimethylphenyl)methyl]-1H-imidazole hydrochloride

• ChemBase编号: 72755
• 分子式: C12H15ClN2
• 平均质量: 222.7139
• 单一同位素质量: 222.09237617
• SMILES: c1(cccc(c1C)C)Cc1nc[nH]c1.Cl
• Canonical SMILES: Cc1cccc(c1C)Cc1c[nH]cn1.Cl
• InChI: InChI=1S/C12H14N2.ClH/c1-9-4-3-5-11(10(9)2)6-12-7-13-8-14-12;/h3-5,7-8H,6H2,1-2H3,(H,13,14);1H
• InChIKey: OIWRDXKNDCJZSM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(2,3-dimethylphenyl)methyl]-1H-imidazole hydrochloride
• IUPAC传统名: 4-(2,3-dimethylbenzyl)imidazol hydrochloride
• 别名: 5-[(2,3-Dimethylphenyl)methyl]-1H-imidazole Hydrochloride; 4-[(2,3-Dimethylphenyl)methyl]-1H-imidazole Monohydrochloride; Domosedan; MPV 253AII; 4-((2,3-dimethylphenyl)methyl)-1h-imidazole monohydrochloride; Dormosedan; Detomidine hydrochloride; Detomidine HCl

登记号

• CAS号: 90038-01-0
• PubChem SID: 162037676
• PubChem CID: 56031

理论计算性质

• Acid pKa: 14.201839
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 2.031074
• LogD (pH = 7.4): 2.787372
• Log P: 2.8473287
• 摩尔折射率: 58.4086 cm^3
• 极化性: 22.047924 Å^3
• 极化表面积: 28.68 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; Methanol
• 外观: Off-White Solid
• 熔点: 158-161°C

安全信息

• 保存条件: -20°C; Refrigerator

药理学性质

• 作用靶点: Adrenergic Receptor; adrenoreceptor

产品相关信息

• 纯度: 97%
• 成盐信息: HCl; hydrochloride

详细说明

Selleck Chemicals - S1579

Research Area: Neurological Disease
Biological Activity:
Detomidine hydrochloride is a nonnarcotic, synthetic alpha-2 adrenoreceptor agonist.equine sedative/analgesic that contains the active ingredient detomidine hydrochloride. Detomidine is a sedative with analgesic properties. Alpha2-adrenergic agonists produce dose-dependent sedative and analgesic effects, mediatated by activation of alpha-2 catecholamine receptors, thus inducing a negative feedback response, reducing production of excitatory neurotransmitters. Due to inhibition of the sympathetic nervous system, detomidine also has cardiac and respiratory effects and an antidiuretic action. [1]

Toronto Research Chemicals - D297975

α-Adrenoceptor agonist with sedative and analgesic activity. Sedative.

参考文献

• http://en.wikipedia.org/wiki/Detomidine
• Laine, E., Acta Pharm. Suec., 20, 451 (1983)
• Virtanen, R., et al.: Eur. J. Pharmacol., 108, 163 (1983)