Ibrutinib Dimer Impurity 2 – Alentris Research Pvt. Ltd.

Ibrutinib Dimer Impurity 2

CAT No.

ALN-I005029

CAS No.

2417548-76-4

Mol. F.

C50H48N12O4

Mol. Wt.

881

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Product Overview

Chemical Name : 1-((R)-3-(5-(3-((R)-3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropyl)-4-imino-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one

Smiles : NC1=NC=NC2=C1C(C3=CC=C(OC4=CC=CC=C4)C=C3)=NN2[C@@H]5CCCN(C(CCN6C=NC(N([C@@H]7CCCN(C(C=C)=O)C7)N=C8C9=CC=C(OC%10=CC=CC=C%10)C=C9)=C8C6=N)=O)C5

Inchi : InChI=1S/C25H25ClN6O2/c26-13-12-21(33)31-14-4-5-18(15-31)32-25-22(24(27)28-16-29-25)23(30-32)17-8-10-20(11-9-17)34-19-6-2-1-3-7-19/h1-3,6-11,16,18H,4-5,12-15H2,(H2,27,28,29)/t18-/m1/s1

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