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| IUPAC Name: | ethyl N-[4-chloro-2-[(2S)-4-cyclopropyl-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl]phenyl]carbamate |
| Description: | An impurity of Efavirenz. Efavirenz is an antiretroviral medication used for the treatment of HIV/AIDS. |
| Molecular Weight: | 361.74 |
| Molecular Formula: | C16H15ClF3NO3 |
| Canonical SMILES: | CCOC(=O)NC1=C(C=C(C=C1)Cl)C(C#CC2CC2)(C(F)(F)F)O |
| InChI: | InChI=1S/C16H15ClF3NO3/c1-2-24-14(22)21-13-6-5-11(17)9-12(13)15(23,16(18,19)20)8-7-10-3-4-10/h5-6,9-10,23H,2-4H2,1H3,(H,21,22)/t15-/m0/s1 |
| InChI Key: | BZIKLWWRUOKZMC-HNNXBMFYSA-N |
| Melting Point: | 138-140°C |
| Solubility: | DMSO (Slightly), Methanol (Slightly) |
| Appearance: | White Solid |
| Storage: | -20°C, Hygroscopic |
| References: | Young, S.D., et al. Antimicrob. Ag. Chemother., 39, 2602 (1995). |
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