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Ibrutinib Impurity 9

Impurity

CAS Number

2417548-83-3

Molecular Formula

C50H48N12O4

Product format

Neat

Molecular Weight

881.02

API Family

Ibrutinib

Synonyms

2417548-83-3; N-(1-((R)-1-acryloylpiperidin-3-yl)-3-(4-phenoxyphenyl)-1H-pyrazolo[3, 4-d]pyrimidin-4-yl)-3-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3 and 4-d]pyrimidin-1-yl)piperidin-1-yl)propanamide

Iupac Name

3-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3, 4-d]pyrimidin-1-yl]piperidin-1-yl]-N-[3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3 and 4-d]pyrimidin-4-yl]propanamide

InChI

InChI=1S/C50H48N12O4/c1-2-42(64)60-27-10-12-36(30-60)62-50-44(46(58-62)34-19-23-40(24-20-34)66-38-15-7-4-8-16-38)48(53-32-55-50)56-41(63)25-28-59-26-9-11-35(29-59)61-49-43(47(51)52-31-54-49)45(57-61)33-17-21-39(22-18-33)65-37-13-5-3-6-14-37/h2-8,13-24,31-32,35-36H,1,9-12,25-30H2,(H2,51,52,54)(H,53,55,56,63)/t35-,36-/m1/s1

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Synthesis

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