methyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate

• ChemBase编号: 128394
• 分子式: C13H14N2O2
• 平均质量: 230.26246
• 单一同位素质量: 230.1055277
• SMILES: O=C(OC)c1cncn1C(c1ccccc1)C
• Canonical SMILES: COC(=O)c1cncn1C(c1ccccc1)C
• InChI: InChI=1S/C13H14N2O2/c1-10(11-6-4-3-5-7-11)15-9-14-8-12(15)13(16)17-2/h3-10H,1-2H3
• InChIKey: FHFZEKYDSVTYLL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate
• IUPAC传统名: metomidate
• 别名: Metomidate; 1-(1-Phenylethyl)-1H-imidazole-5-carboxylic Acid Methyl Ester; 1-(α-Methylbenzyl)imidazole-5-carboxylic Acid Methyl Ester; Aquacalm; Hypnodil; Methomidate; Methoxymol; Methoxymol R-7315; Methyl 1-(α-Methylbenzyl)imidazole-5-carboxylate; R 7315

登记号

• CAS号: 5377-20-8
• PubChem SID: 162222701
• PubChem CID: 21474
• ATC码: QN05CM94
• CHEMBL: 494039
• Chemspider ID: 20182
• 美国药典/FDA物质标识码: Z18ZYL8Y51
• 维基百科标题: Metomidate

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.109338
• LogD (pH = 7.4): 2.1425254
• Log P: 2.1429782
• 摩尔折射率: 64.8437 cm^3
• 极化性: 24.76663 Å^3
• 极化表面积: 44.12 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

药理学性质

• 法定药品分级: Rx-only

详细说明

Toronto Research Chemicals - M338755

Metomidate is a the methyl ester analogue of Etomidate (E933300), with sedative and hypnotic properties. Metomidate is mainly used as an anesthetic for veterinary use on its own or in combination with Azaperone (A802200) and other sedatives.

参考文献

• Mgasa, M.N. et al.: J. Vet. Med. Ser. A, 36, 225 (1989)
• Roztocil, V. et al.: Acta Vet. Brno, 41, 339 (1989)
• Mattson, N.S. et al.: Aquaculture, 83, 89 (1989)