Account 4-(((2S,3S)-3-(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)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)pentan-2-yl)oxy)-4-oxobutanoic acid
- Catalog No. :
- ACKGAG308
- CAS No. :
- 1488301-79-6
- Molecular Formula :
- C41H46F2N8O7
- Molecular Weight :
- 800.86
IUPAC Name:4-(((2S,3S)-3-(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)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)pentan-2-yl)oxy)-4-oxobutanoic acid
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Product Information
| Product Name | 4-(((2S,3S)-3-(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)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)pentan-2-yl)oxy)-4-oxobutanoic acid |
|---|---|
| IUPAC Name | 4-(((2S,3S)-3-(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)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)pentan-2-yl)oxy)-4-oxobutanoic acid |
| Molecular Formula | C41H46F2N8O7 |
| Molecular Weight | 800.86 |
| SMILES | CC[C@@H]([C@H](C)OC(=O)CCC(=O)O)N1N=CN(C2=CC=C(N3CCN(C4=CC=C(OC[C@@H]5CO[C@@](CN6C=NC=N6)(C6=C(F)C=C(F)C=C6)C5)C=C4)CC3)C=C2)C1=O |
| InChI Key | PNRABLJKLZSNNS-VBDJOCTDSA-N |
| Synonym | Posaconazole Impurity 85;D-threo-Pentitol, 2,5-anhydro-4-[[4-[4-[4-[1-[(1S,2S)-2-(3-carboxy-1-oxopropoxy)-1-ethylpropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-;Posaconazole Succinyl Ester |
| CAS No. | 1488301-79-6 |
Synthetic Route by SureRoute
2. ACKGAG308 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)-2-((2S,3S)-2-(benzyloxy)pentan-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-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