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170985-61-2

170985-61-2 Structure

170985-61-2 Structure
IdentificationBack Directory
[Name]

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-((2R,3R)-2-hydroxypentan-3-yl)-1H-1,2,4-triazol-5(4H)-one
[CAS]

170985-61-2
[Synonyms]

all-(R)-Posaconazole
(3R,5R,2R,3R)-posaconazole
Posacozole Diastereoisomer 1 (R,R,R,R)
Posaconazole Diastereoisomer 1 (R,R,R,R)
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-((2R,3R)-2-hydroxypentan-3-yl)-1H-1,2,4-triazol-5(4H)-one
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,3R)-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-[(1R,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]

170985-61-2.mol
[Molecular Weight]

700.78
Chemical PropertiesBack 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-XDOGIQCTNA-N
[SMILES]

N1([C@H](CC)[C@H](O)C)C(=O)N(C2=CC=C(N3CCN(C4=CC=C(OC[C@H]5C[C@](CN6C=NC=N6)(C6=CC=C(F)C=C6F)OC5)C=C4)CC3)C=C2)C=N1 |&1:1,4,24,26,r|
Hazard InformationBack Directory
[Uses]

all-(R)-Posaconazole is a diastereomer of Posaconazole (P689600), which is an orally active triazole antifungal.
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