(S)-5-氯-alpha-(环丙基乙炔基)-2-[((4-甲氧基苯基)甲基)氨基]-alpha-(三氟甲基)苯甲醇

• 常用名: (S)-5-氯-alpha-(环丙基乙炔基)-2-[((4-甲氧基苯基)甲基)氨基]-alpha-(三氟甲基)苯甲醇
• 英文名: (S)-5-Chloro-(cyclopropylethynyl)-2-[(4-methoxyphenyl)methyl]amion trifluoromethyl benzenemethanol
• CAS号: 173676-60-3
• 分子量: 409.82900
• 密度: N/A
• 沸点: N/A
• 分子式: C₂₁H₁₉ClF₃NO₂
• 熔点: 137-141ºC
• 闪点: N/A

名称

• 中文名: (S)-5-氯-alpha-(环丙基乙炔基)-2-[((4-甲氧基苯基)甲基)氨基]-alpha-(三氟甲基)苯甲醇
• 英文名: (S)-5-chloro-a-(Cyclopropylacetenyl)-2-[((4-methoxyphenyl)methyl)amino]-a- (trifluoromethyl) benzenemethanol (E-4)
• 中文别名: 依非韦伦中间体 | 依非韦伦杂质

物理化学性质

• 熔点: 137-141ºC
• 分子式: C₂₁H₁₉ClF₃NO₂
• 分子量: 409.82900
• 精确质量: 409.10600
• PSA: 41.49000
• LogP: 5.19700
• InChIKey: BXJWOBQJYQHISM-FQEVSTJZSA-N
• SMILES: COc1ccc(CNc2ccc(Cl)cc2C(O)(C#CC2CC2)C(F)(F)F)cc1
• 外观性状: 白色或淡黄色结晶粉末

靶点实验

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实验名称：Drug metabolism assessed as CYP2D6 (unknown origin)-mediated metabolite formation at ... 来源：ChEMBL 靶标：Cytochrome P450 2D6 External Id：CHEMBL3388987

实验名称：Drug metabolism assessed as CYP2C19 (unknown origin)-mediated metabolite formation at... 来源：ChEMBL 靶标：Cytochrome P450 2C19 External Id：CHEMBL3388986

实验名称：Drug metabolism in pooled human liver microsomes assessed as N-dealkylated metabolite... 来源：ChEMBL 靶标：Liver microsome External Id：CHEMBL3388973

实验名称：Inhibition of CYP2B6 (unknown origin) assessed as reduction in hydroxybupropion forma... 来源：ChEMBL 靶标：Cytochrome P450 2B6 External Id：CHEMBL3388993

实验名称：Drug metabolism assessed as CYP1A2 (unknown origin)-mediated metabolite formation at ... 来源：ChEMBL 靶标：Cytochrome P450 1A2 External Id：CHEMBL3388984

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