2-[(2H5)ethylamino]-2-(thiophen-2-yl)cyclohexan-1-one hydrochloride

• ChemBase编号: 178647
• 分子式: C12H18ClNOS
• 平均质量: 259.79542
• 单一同位素质量: 259.07976288
• SMILES: C1(CCCCC1=O)(c1cccs1)NCC.Cl
• Canonical SMILES: CCNC1(CCCCC1=O)c1cccs1.Cl
• InChI: InChI=1S/C12H17NOS.ClH/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14;/h5,7,9,13H,2-4,6,8H2,1H3;1H
• InChIKey: ZUYKJZQOPXDNOK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(^2H₅)ethylamino]-2-(thiophen-2-yl)cyclohexan-1-one hydrochloride
• IUPAC传统名: 2-[(^2H₅)ethylamino]-2-(thiophen-2-yl)cyclohexan-1-one hydrochloride
• 别名: 2-(Ethylamino-d5)-2-(2-thienyl)cyclohexanone Hydrochloride; CI 634-d5; CL 399-d5; CN 54521-2-d5; NSC 167740-d5; Tiletamin-d5 Hydrochloride; Tiletamine-d5 Hydrochloride

登记号

• PubChem SID: 164234557
• PubChem CID: 71752576

理论计算性质

• Acid pKa: 18.879047
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.7148516
• LogD (pH = 7.4): 2.432973
• Log P: 3.0129473
• 摩尔折射率: 62.3875 cm^3
• 极化性: 24.577257 Å^3
• 极化表面积: 29.1 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - T440202

Labelled Tiletamine (T440200). An anesthetic drug.

参考文献

• Tsubota, T., et al.: Vet. Med. Sci., 53, 321 (1991)
• Cattet, M., et al.: J. Wildl. Dis., 33, 611 (1991)