Isavuconazole D4 structure
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Common Name | Isavuconazole D4 | ||
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| CAS Number | 1346598-58-0 | Molecular Weight | 441.490 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 678.0±65.0 °C at 760 mmHg | |
| Molecular Formula | C22H13D4F2N5OS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 363.8±34.3 °C | |
Use of Isavuconazole D4Isavuconazole D4 (BAL-4815 D4) is a deuterium labeled Isavuconazole (BAL-4815). Isavuconazole is a triazole prodrug with antifungal activity against yeasts, molds, and dimorphic fungi[1]. |
| Name | 4-{2-[(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butanyl]-1,3-thiazol-4-yl}(2H4)benzonitrile |
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| Synonym | More Synonyms |
| Description | Isavuconazole D4 (BAL-4815 D4) is a deuterium labeled Isavuconazole (BAL-4815). Isavuconazole is a triazole prodrug with antifungal activity against yeasts, molds, and dimorphic fungi[1]. |
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| Related Catalog | |
| References |
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 678.0±65.0 °C at 760 mmHg |
| Molecular Formula | C22H13D4F2N5OS |
| Molecular Weight | 441.490 |
| Flash Point | 363.8±34.3 °C |
| Exact Mass | 441.137299 |
| LogP | 3.92 |
| Vapour Pressure | 0.0±2.2 mmHg at 25°C |
| Index of Refraction | 1.666 |
| InChIKey | DDFOUSQFMYRUQK-KUXFOAEVSA-N |
| SMILES | CC(c1nc(-c2ccc(C#N)cc2)cs1)C(O)(Cn1cncn1)c1cc(F)ccc1F |
| Benzonitrile-2,3,5,6-d4, 4-[2-[(1R,2R)-2-(2,5-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]- |
| 4-{2-[(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butanyl]-1,3-thiazol-4-yl}(2H4)benzonitrile |