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213381-06-7

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213381-06-7 Structure

213381-06-7 Structure
IdentificationBack Directory
[Name]

Posaconazole Impurity 18
[CAS]

213381-06-7
[Synonyms]

Posacozole Impurity 18
Posaconazole Impurity 18
Posaconazole Impurity(S,R,S,R)
4-(4-(4-(4-(((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-
D-erythro-Pentitol, 1,4-anhydro-2,3,5-trideoxy-4-C-(2,4-difluorophenyl)-2-[[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]-5-(1H-1,2,4-triazol-1-yl)-
[Molecular Formula]

C37H42F2N8O4
[MOL File]

213381-06-7.mol
[Molecular Weight]

700.79
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-KSWQATAHNA-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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