Brigatinib-D8

Product Specifications

CAS Number

2055306-74-4

Hazard Statement

No Data Available

Smiles

[2H]C1([2H])N(C)C([2H])([2H])C([2H])([2H])N(C2CCN(CC2)c3ccc(Nc4ncc(Cl)c(Nc5ccccc5P(=O)(C)C)n4)c(OC)c3)C1([2H])[2H]

Molecular Formula

C29 D8 H31 Cl N7 O2 P

Molecular Weight

592.142

InChI

InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)/i15D2,16D2,17D2,18D2

Additionnal Information

IUPAC name: 5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine