1917333-91-5

Name Ibrutinib Impurity 6
CAS 1917333-91-5
Molecular Formula C28H26N6O3
Molecular Weight 494.54
MOL File 1917333-91-5.mol
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Chemical Properties

Boiling point  752.1±70.0 °C(Predicted)
density  1.38±0.1 g/cm3(Predicted)
pka 0.28±0.20(Predicted)
InChIKey FSCNEJORXHNHBP-HXUWFJFHSA-N
SMILES C1=NC2N([C@@H]3CCCN(C(=O)C=C)C3)N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C=2C2=NC(=O)CCN12

Spectrum Detail

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