Account 4-(4-(3-(4-(((3R,5R)-5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)imidazolidin-1-yl)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
- Catalog No. :
- ACYLNH495
- CAS No. :
- 1388148-29-5
- Molecular Formula :
- C36H40F2N8O4
- Molecular Weight :
- 686.76
IUPAC Name:4-(4-(3-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)imidazolidin-1-yl)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
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Product Information
| Product Name | 4-(4-(3-(4-(((3R,5R)-5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)imidazolidin-1-yl)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
|---|---|
| IUPAC Name | 4-(4-(3-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)imidazolidin-1-yl)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Formula | C36H40F2N8O4 |
| Molecular Weight | 686.76 |
| SMILES | O=C(N(N=C1)[C@@H](CC)[C@@H](O)C)N1C(C=C2)=CC=C2N(CC3)CN3C(C=C4)=CC=C4OC[C@H](CO5)C[C@@]5(C6=C(C=C(C=C6)F)F)CN7C=NC=N7 |
| InChI Key | GCEOWVCWJMMIAY-YUYQYMTJSA-N |
| Synonym | Posaconazole Imidazolidine Analog;Posaconazole Impurity X;4-(4-(3-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)imidazolidin-1-yl)phenyl)-1-((2S,3S)-2-hydroxypentan-3-yl)-1H-1,2,4-triazol-5(4H)-one;Posaconazole Imidazolidine;D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[3-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-imidazolidinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)- |
| CAS No. | 1388148-29-5 |
Synthetic Route by SureRoute
2. ACYLNH495 Molecular Building Block Synthetic Route
4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1-((2S,3S)-2-hydroxypentan-3-yl)-1H-1,2,4-triazol-5(4H)-one
4-(4-(4-(4-(((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
rel-(3S,5S)-4-(4-(4-(4-((5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-((2R,3R)-2-hydroxypentan-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one