Ibrutinib Dimer-II

CAT No.

ALN-I005018

CAS No.

2540665-98-1

Mol. F.

C50H48N12O4

Mol. Wt.

881

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Product Overview

Technical Data

Reference

RFQ

Product Overview

Chemical Name : 1-((S)-3-(2-(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)-2,4-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one

Smiles : NC1=C2C(N([C@H]3CN(C(CCN4C(C5=CC=C(OC6=CC=CC=C6)C=C5)=C7C(N4[C@@H]8CN(C(C=C)=O)CCC8)=NC=NC7=N)=O)CCC3)N=C2C9=CC=C(OC%10=CC=CC=C%10)C=C9)=NC=N1

Inchi : InChI=1S/C25H24FNO4.C8H11N/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;1-7(9)8-5-3-2-4-6-8/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);2-7H,9H2,1H3/b12-11+;/t18-,19-;7-/m11/s1

Technical Data