[10-[3-(4-吗啉基)-1-氧代丙基]-10H-吩噻嗪-2-基]-氨基甲酸乙酯
[CAS# 31883-05-3]

基本信息

• 产品名称: [10-[3-(4-吗啉基)-1-氧代丙基]-10H-吩噻嗪-2-基]-氨基甲酸乙酯
• 英文名: [10-[3-(4-Morpholinyl)-1-Oxopropyl]-10H-Phenothiazin-2-Yl]-Carbamic Acid Ethyl Ester
• 别名: Ethyl N-[10-(3-Morpholinopropanoyl)Phenothiazin-2-Yl]Carbamate; N-[10-(3-Morpholino-1-Oxopropyl)-2-Phenothiazinyl]Carbamic Acid Ethyl Ester; N-[10-(3-Morpholinopropanoyl)Phenothiazin-2-Yl]Carbamic Acid Ethyl Ester
• 分子式: C₂₂H₂₅N₃O₄S
• 分子量: 427.52
• CAS 登录号: 31883-05-3
• EINECS 登录号: 250-854-5
• 分子行输入简码 SMILES: C1=C(NC(OCC)=O)C=CC3=C1N(C2=C(C=CC=C2)S3)C(CCN4CCOCC4)=O
• 国际化学标识码 InChI: 1S/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)
• 国际化学标识检索码 InChIKey: FUBVWMNBEHXPSU-UHFFFAOYSA-N

物理化学性质

• 密度: 1.3±0.1g/cm³ （计算值）
• 沸点: 625.0±55.0°C at 760 mmHg （计算值）
• 闪点: 331.8±31.5°C （计算值）

参考文献

• (1): Gilles Klopman, Liliana R. Stefan and Roustem D. Saiakhov. ADME evaluation: 2. A computer model for the prediction of intestinal absorption in humans, Eur. J. Pharm. Sci. 2002, 17 (4-5), 253-263A total of 50 drugs and their %HIA (Human Intestinal Absorption) values taken from the table given in the paper. "Flucloxacillin" was retrieved as "Floxacillin" from ChemIDplus. "Azimilide" had to be drawn as structure was not available for download from ChemIDplus (though it was depicted there).