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Ibrutinib Impurity 31

Impurity

CAS Number

2437254-47-0

Molecular Formula

C25H24N6O3

Product format

Neat

Molecular Weight

456.51

API Family

Ibrutinib

Synonyms

Ibrutinib N1-Oxide; 2437254-47-0; (R)-1-(1-Acryloylpiperidin-3-yl)-4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3 and 4-d]pyrimidine 5-oxide

Iupac Name

1-[(3R)-3-[5-hydroxy-4-imino-3-(4-phenoxyphenyl)pyrazolo[5 and 4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one

InChI

InChI=1S/C25H24N6O3/c1-2-21(32)29-14-6-7-18(15-29)31-25-22(24(26)30(33)16-27-25)23(28-31)17-10-12-20(13-11-17)34-19-8-4-3-5-9-19/h2-5,8-13,16,18,26,33H,1,6-7,14-15H2/t18-/m1/s1

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Synthesis

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