Account 4-(2-((2R,3R)-Rel-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)thiazol-4-yl)benzonitrile
- Catalog No. :
- ACEMJJ353
- CAS No. :
- 1286730-05-9
- Molecular Formula :
- C22H17F2N5OS
- Molecular Weight :
- 437.48
IUPAC Name:4-(2-((2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)thiazol-4-yl)benzonitrile
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Product Information
| Product Name | 4-(2-((2R,3R)-Rel-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)thiazol-4-yl)benzonitrile |
|---|---|
| IUPAC Name | 4-(2-((2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)thiazol-4-yl)benzonitrile |
| MDL No. | MFCD06407745 |
| Molecular Formula | C22H17F2N5OS |
| Molecular Weight | 437.48 |
| SMILES | N#CC1=CC=C(C2=CSC([C@H](C)[C@@](O)(C3=CC(F)=CC=C3F)CN4N=CN=C4)=N2)C=C1 |
| InChI Key | DDFOUSQFMYRUQK-RCDICMHDSA-N |
| Synonym | 4-(2-((2S,3S)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)thiazol-4-yl)benzonitrile;Isavuconazole Impurity 64;Benzonitrile, 4-[2-[(1R,2R)-2-(2,5-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]-, rel-;Isavuconazole Impurity 147;4-(2-((2R,3R)-Rel-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)thiazol-4-yl)benzonitrile |
| CAS No. | 1286730-05-9 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACEMJJ353 Molecular Building Block Synthetic Route
4-[2-[(1R,2R)-2-(2,5-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]benzonitrile
4-(2-((2S,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)thiazol-4-yl)benzonitrile
rel-4-(2-((2R,3S)-3-(2,5-Difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)thiazol-4-yl)benzonitrile