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| IUPAC Name: | (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one |
| Description: | Non-nucleoside reverse transcriptase inhibitors (NNRTIs) are highly specific and potent allosteric inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase. Efavirenz is an NNRTI that prevents RNA plus-strand initiation with an IC50 value of 17 nM. Efavirenz also inhibits the late stages of HIV-1 replication by interfering with HIV-1 Gag-Pol polyprotein processing. It has been used in combination therapy with drugs directed at the treatment of opportunistic infections such as HIV and cancer. |
| Molecular Weight: | 315.67 |
| Molecular Formula: | C14H9ClF3NO2 |
| Canonical SMILES: | C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F |
| InChI: | InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1 |
| InChI Key: | XPOQHMRABVBWPR-ZDUSSCGKSA-N |
| Boiling Point: | 340.6 ℃ at 760 mmHg |
| Melting Point: | 139-141ºC |
| Flash Point: | 209.4±31.5 °C |
| Purity: | > 98 % |
| Density: | 1.53 g/cm3 |
| Solubility: | In Vitro: DMSO: ≥ 38 mg/mL (120.38 mM) |
| Appearance: | White to off-white (Solid) |
| Storage: | Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month |
| LogP: | 4.21110 |
| Vapor Pressure: | 0.0±1.1 mmHg at 25°C |
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6-(tert-Butyl)-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one
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