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Ibrutinib Impurity 42

Ibrutinib Impurity 42

Product Description
CAT No.
ALN-I005061
CAS No.
NA
Mol. F.
C29H30N6O4
Mol. Wt.
526.6
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RFQ
Chemical Name : Methyl (R)-3-((1-(1-acryloylpiperidin-3-yl)-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)propanoate
Smiles : O=C(OC)CCNC1=C2C(N([C@H]3CN(C(C=C)=O)CCC3)N=C2C4=CC=C(OC5=CC=CC=C5)C=C4)=NC=N1
Inchi : InChI=1S/C45H76O16/c1-22-18-23(2)43(9,50)58-36(22)30-19-31(55-34-13-12-29(52-10)27(6)54-34)40(56-30)42(8)15-14-32(57-42)41(7)16-17-44(61-41)20-28(46)24(3)37(59-44)25(4)38-39(53-11)35(49)26(5)45(51,60-38)21-33(47)48/h22-32,34-40,46,49-51H,12-21H2,1-11H3,(H,47,48)/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31-,32+,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45+/m0/s1

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