CAS: 165315-26-4; Thiazol-5-Ylmethyl ((2S,3S,5S)-5-((S)-2-(3-((2-Ethylthiazol-4-yl)Methyl)-3-Methylureido)-3-Methylbutanamido)-3-Hydroxy-1,6-Diphenylhexan-2-yl)Carbamate

• 英文名称Thiazol-5-Ylmethyl ((2S,3S,5S)-5-((S)-2-(3-((2-Ethylthiazol-4-yl)Methyl)-3-Methylureido)-3-Methylbutanamido)-3-Hydroxy-1,6-Diphenylhexan-2-yl)Carbamate
• 中文名称利托那韦EP杂质I
• IUPAC名称thiazol-5-ylmethyl ((2S,3S,5S)-5-((S)-2-(3-((2-ethylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanamido)-3-hydroxy-1,6-diphenylhexan-2-yl)carbamate
• 其它别名(5S,8S,10S,11S)-1-(2-Ethyl-4-Thiazolyl)-10-Hydroxy-2-Methyl-5-(1-Methylethyl)-3,6-Dioxo-8,11-Bis(Phenylmethyl)-2,4,7,12-Tetraazatridecan-13-Oic Acid 5-Thiazolylmethyl Ester; [5S-(5R*,8R*,10R*,11R*; 2-Desisopropyl-2-Ethyl Ritonavir; Ritonavir Usp Impurity F; Ritonavir Impurity 9(Ritonavir Ep Impurity I); Ritonavir Ep Imp I; 2,4,7,12-Tetraazatridecan-13-Oic Acid, 1-(2-Ethyl-4-Thiazolyl)-10-Hydroxy-2-Methyl-5-(1-Methylethyl)-3,6-Dioxo-8,11-Bis(Phenylmethyl)-, 5-Thiazolylmethyl Ester, (5S,8S,10S,11S)- (9Ci); Thiazol-5-Ylmethyl[[(2S,3S,4S)1-Benzyl-4-[[(2S)-2-[[(2-Ethylthiazol-4-yl)Methyl]Methylcarbamoyl]Amin
• CAS编号165315-26-4
• MFCD编号:MFCD28138366
• FDA UNII编号:6M6X3D822N
• 分子式:C36H46N6O5S2分子量:706.93
• 产品CID: 839226
• 产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

• 相似结构搜索
• InChIKey: OYEPOHCIXAAUDI-UDRKEFQJSA-N
• InChI=1S/C36H46N6O5S2/c1-5-32-38-28(22-48-32)20-42(4)35(45)41-33(24(2)3)34(44)39-27(16-25-12-8-6-9-13-25)18-31(43)30(17-26-14-10-7-11-15-26)40-36(46)47-21-29-19-37-23-49-
• 计算化学: 氢键受体数9.0氢键供体数4.0可旋转键数18.0

物理性质

• 沸点950.9±65.0 °C(预测)
• 闪点528.9 °C
• 密度1.252±0.06 g/cm3(预测)
• pKa:11.47±0.46(预测)
• PSA:212.73
• LogP:6.5933
• 折射率1.604
• 蒸汽压0 mmHg at 25 °C

MSDS等安全信息

合成工艺路线路线简述

海关参考信息

• 2902600000-乙苯
  2905122000-异丙醇
  2912110000-甲醛
  2912120000-乙醛
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其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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• ➥ REACH监管