Product Code

TRC-I125010

CAS Number

1838132-94-7

Product Format

Neat

Molecular Formula

C25 H26 N6 O3

Molecular Weight

458.512

Product Categories

TRC

Product Type

Impurity

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Ibrutinib M34

CAS Number

1838132-94-7

Molecular Formula

C25 H26 N6 O3

Molecular Weight

458.512

Accurate Mass

458.207

SMILES

Nc1ncnc2c1c(nn2[C@H](CCCO)CNC(=O)C=C)c3ccc(Oc4ccccc4)cc3

InChI

InChI=1S/C25H26N6O3/c1-2-21(33)27-15-18(7-6-14-32)31-25-22(24(26)28-16-29-25)23(30-31)17-10-12-20(13-11-17)34-19-8-4-3-5-9-19/h2-5,8-13,16,18,32H,1,6-7,14-15H2,(H,27,33)(H2,26,28,29)/t18-/m1/s1

IUPAC

N-[(2R)-2-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-hydroxypentyl]prop-2-enamide

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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