Ponatinib

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Properties Simple | Detailed

Formula C29H28F3N6O
IUPAC Name 3-(2-imidazo[1,2-b]pyridazin-1-ium-3-id-3-ylethynyl)-4-methyl-n-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
Molecular Mass 533.567 g·mol−1
Heat of Formation -47.3 ± 16.7 kJ·mol−1
Dipole Moment 6.27 ± 1.08 D
Volume 611.83 Å 3
Surface Area 527.07 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
InChIKey PHXJVRSECIGDHY-UHFFFAOYSA-N
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