Identification | Back Directory | [Name]
Posaconazole Impurity 17 | [CAS]
171228-51-6 | [Synonyms]
Posacozole Impurity 17 (3S,5S,2R,3S)-posaconazole Posaconazole Impurity(R,R,S,R) Posaconazole Diastereoisomer - (R,R,S,R) 4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)me 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-((2R,3S)-2-hydroxypentan-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2R)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)- | [Molecular Formula]
C37H42F2N8O4 | [MOL File]
171228-51-6.mol | [Molecular Weight]
700.79 |
Chemical Properties | Back Directory | [Boiling point ]
850.7±75.0 °C(Predicted) | [density ]
1.36±0.1 g/cm3(Predicted) | [pka]
14.72±0.20(Predicted) | [InChIKey]
RAGOYPUPXAKGKH-YUVGKPJTNA-N | [SMILES]
C(N1N=CN=C1)[C@@]1(C2C=CC(F)=CC=2F)OC[C@@H](COC2C=CC(N3CCN(C4C=CC(N5C=NN([C@@H](CC)[C@H](O)C)C5=O)=CC=4)CC3)=CC=2)C1 |&1:6,17,36,39,r| |
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