357189-94-7

Name Posaconazole Impurity 51
CAS 357189-94-7
Molecular Formula C37H40F2N8O5
Molecular Weight 714.761
MOL File 357189-94-7.mol
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Chemical Properties

Boiling point  911.4±75.0 °C(Predicted)
density  1.40±0.1 g/cm3(Predicted)
pka 14.72±0.20(Predicted)
InChIKey ZZDLBPMUUVZXAY-NOJACZOXNA-N
SMILES N1(C2=CC=C(N3C(=O)N([C@@H](CC)[C@@H](O)C)N=C3)C=C2)CCN(C2=CC=C(OC[C@H]3C[C@@](C4=CC=C(F)C=C4F)(CN4C=NC=N4)OC3)C=C2)CC1=O |&1:9,12,28,30,r|

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