Analyte Name

Ibrutinib M25

CAS Number

1839090-60-6

Molecular Formula

C25 H24 N6 O4

Molecular Weight

472.496

Accurate Mass

472.186

SMILES

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

InChI

InChI=1S/C25H24N6O4/c1-2-20(32)27-14-17(10-13-21(33)34)31-25-22(24(26)28-15-29-25)23(30-31)16-8-11-19(12-9-16)35-18-6-4-3-5-7-18/h2-9,11-12,15,17H,1,10,13-14H2,(H,27,32)(H,33,34)(H2,26,28,29)/t17-/m1/s1

IUPAC

(4R)-4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(prop-2-enoylamino)pentanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat