Ponatinib-d8

Product Specifications

CAS Number

1562993-37-6

Synonyms

3-(2-Imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]benzamide-d8; AP 24534-d8;

Hazard Statement

Toxic if swallowed; UN number: UN2811; Packing Group: III

Purity

>95% (HPLC)

Smiles

O=C(NC1=CC(C(F)(F)F)=C(CN2C([2H])([2H])C([2H])([2H])N(C)C([2H])([2H])C2([2H])[2H])C=C1)C3=CC(C#CC4=CN=C5N4N=CC=C5)=C(C)C=C3

Molecular Formula

C29H19D8F3N6O

Molecular Weight

540.61

InChI

InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)/i12D2,13D2,14D2,15D2

Additionnal Information

IUPAC name: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl-2,2,3,3,5,5,6,6-d8)methyl)-3-(trifluoromethyl)phenyl)benzamide