ChemicalBook--->CAS DataBase List--->1902957-95-2

1902957-95-2

1902957-95-2 Structure

1902957-95-2 Structure
IdentificationBack Directory
[Name]

Posaconazole Impurity 50
[CAS]

1902957-95-2
[Synonyms]

Posaconazole Impurity 50
Posaconazole Impurity YH3
Posaconazole Impurities16
posaconazoleN-Oxide impurity
Posaconazole Dioxido Impurity
posaconazole N-Oxide impurity 1
1-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)-4-(4-(1-((2S,3S)-2-hydroxypentan-
1-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)-4-(4-(1-((2S,3R)-2-hydroxypentan-3-yl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)phenyl)piperazine 1,4-dioxide
D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1,4-dioxido-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-
[Molecular Formula]

C37H42F2N8O6
[MOL File]

1902957-95-2.mol
[Molecular Weight]

732.79
Chemical PropertiesBack Directory
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

14.72±0.20(Predicted)
[color ]

White to Off-White
[InChIKey]

UYZCUQUAYDZPLB-XRTHGBEMNA-N
[SMILES]

C(N1N=CN=C1)[C@@]1(C2C=CC(F)=CC=2F)OC[C@@H](COC2C=CC(N3(CCN(C4C=CC(N5C=NN([C@@H](CC)[C@@H](O)C)C5=O)=CC=4)(=O)CC3)=O)=CC=2)C1 |&1:6,17,36,39,r|
Hazard InformationBack Directory
[Uses]

Posaconazole Piperazine Dioxide is a degradation product of Posaconazole (P689600), which is an orally active triazole antifungal.
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