2-(ethylamino)-2-(thiophen-2-yl)cyclohexan-1-one

• ChemBase编号: 130313
• 分子式: C12H17NOS
• 平均质量: 223.33448
• 单一同位素质量: 223.10308517
• SMILES: O=C1C(c2sccc2)(NCC)CCCC1
• Canonical SMILES: CCNC1(CCCCC1=O)c1cccs1
• InChI: InChI=1S/C12H17NOS/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
• InChIKey: QAXBVGVYDCAVLV-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• CAS号: 14176-50-2
• PubChem SID: 162224592
• PubChem CID: 26533
• Chemspider ID: 24714
• KEGG ID: D08596
• 美国药典/FDA物质标识码: 2YFC543249
• 维基百科标题: Tiletamine

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: 24.577255 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

分子性质

药理学性质

• 给药途径: IV, IM, SC, Other
• 排泄: Kidneys
• 代谢: Liver
• 法定药品分级: Schedule III (US)

详细说明

Toronto Research Chemicals - T440200

Tiletamine is a receptor antagonist, an anesthetic drug. Tiletamine is related chemically and pharmacologically to other anesthetics in this family such as ketamine and phencyclidine.

参考文献

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