Ibrutinib Impurity 29

CAT No.

ALN-I005048

CAS No.

2417548-82-2

Mol. F.

C47H46N12O3

Mol. Wt.

827

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Product Overview

Technical Data

Reference

RFQ

Product Overview

Chemical Name : 1-((R)-3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-((3-(4-phenoxyphenyl)-1-((S)-piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)propan-1-one

Smiles : NC1=NC=NC2=C1C(C3=CC=C(OC4=CC=CC=C4)C=C3)=NN2[C@@H]5CCCN(C(CCNC6=NC=NC7=C6C(C8=CC=C(OC9=CC=CC=C9)C=C8)=NN7[C@H]%10CCCNC%10)=O)C5

Inchi : InChI=1S/C47H46N12O3/c48-44-40-42(31-15-19-37(20-16-31)61-35-11-3-1-4-12-35)54-58(46(40)52-29-50-44)33-9-7-24-56(27-33)26-23-39(60)57-25-8-10-34(28-57)59-47-41(45(49)51-30-53-47)43(55-59)32-17-21-38(22-18-32)62-36-13-5-2-6-14-36/h1-6,11-22,29-30,33-34H,7-10,23-28H2,(H2,48,50,52)(H2,49,51,53)/t33-,34+/m0/s1

Technical Data