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Product Overview

Product Code

TRC-D288110

CAS Number

1288338-96-4

Product Format

Neat

Molecular Formula

C25 H25 Cl N6 O2

Molecular Weight

476.958

API Family

Ibrutinib

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

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Product Information

Chemical Data

Analyte Name

(R)-N-Desacryloyl N-3-Chloropropionyl Ibrutinib

CAS Number

1288338-96-4

Molecular Formula

C25 H25 Cl N6 O2

Molecular Weight

476.958

Accurate Mass

476.173

SMILES

Nc1ncnc2c1c(nn2[C@@H]3CCCN(C3)C(=O)CCCl)c4ccc(Oc5ccccc5)cc4

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

IUPAC

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Ibrutinib

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