213381-06-7

Name Posaconazole Impurity 18
CAS 213381-06-7
Molecular Formula C37H42F2N8O4
Molecular Weight 700.79
MOL File 213381-06-7.mol
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Chemical Properties

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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