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Product Overview

Product Code

TRC-D288165

CAS Number

1839099-22-7

Product Format

Neat

Molecular Formula

C25 H26 N6 O2

Molecular Weight

442.51

API Family

Ibrutinib

Product Categories

TRC, Bioactive small molecules, Kinase Modulators, Impurity Reference Materials

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

(R)-N-Desacryloyl N-Propionyl Ibrutinib

CAS Number

1839099-22-7

Molecular Formula

C25 H26 N6 O2

Molecular Weight

442.51

Accurate Mass

442.2117

SMILES

CCC(=O)N1CCC[C@H](C1)n2nc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25

InChI

InChI=1S/C25H26N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h3-5,8-13,16,18H,2,6-7,14-15H2,1H3,(H2,26,27,28)/t18-/m1/s1

IUPAC

1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidyl]propan-1-one

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Ibrutinib

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