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| IUPAC Name: | (2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanoic acid |
| Description: | (αR,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanoic Acid is an intermediate in the synthesis of Isavuconazole (I777830), an triazole based antifungal agent for the treatment of invasive fungal infections. |
| Molecular Weight: | 297.26 |
| Molecular Formula: | C13H13F2N3O3 |
| Canonical SMILES: | CC(C(=O)O)C(CN1C=NC=N1)(C2=C(C=CC(=C2)F)F)O |
| InChI: | InChI=1S/C13H13F2N3O3/c1-8(12(19)20)13(21,5-18-7-16-6-17-18)10-4-9(14)2-3-11(10)15/h2-4,6-8,21H,5H2,1H3,(H,19,20)/t8-,13+/m0/s1 |
| InChI Key: | JPGBTELGZZSFFQ-ISVAXAHUSA-N |
| Solubility: | DCM, Methanol |
| References: | Guinea, J., et al. Future. Microbiol., 3, 603 (2008). |
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