Please enter keywords
Ponatinib-d8
3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-(4-((2,2,3,3,5,5,6,6-octadeutero-4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide
CAS Number: 1562993-37-6
IUPAC name: 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
Molecular formula: C29H19D8F3N6O
Molecular weight: 540.60900
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
InChIKey: PHXJVRSECIGDHY-DHNBGMNGSA-N
SMILES: [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)C#CC4=CN=C5N4N=CC=C5)C(F)(F)F)([2H])[2H])[2H]
EINECS: -
