ChemSpider 2D Image | Ponatinib-d8 | C29H19D8F3N6O

Ponatinib-d8

  • Molecular FormulaC29H19D8F3N6O
  • Average mass540.609 Da
  • Monoisotopic mass540.270081 Da
  • ChemSpider ID60960152

  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1562993-37-6 [RN]
3-(Imidazo[1,2-b]pyridazin-3-ylethinyl)-4-methyl-N-[4-{[4-methyl(2H8)-1-piperazinyl]methyl}-3-(trifluormethyl)phenyl]benzamid [German] [ACD/IUPAC Name]
3-(Imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-{[4-methyl(2H8)-1-piperazinyl]methyl}-3-(trifluoromethyl)phenyl]benzamide [ACD/IUPAC Name]
3-(Imidazo[1,2-b]pyridazin-3-yléthynyl)-4-méthyl-N-[4-{[4-méthyl(2H8)-1-pipérazinyl]méthyl}-3-(trifluorométhyl)phényl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methyl-1-piperazinyl-2,2,3,3,5,5,6,6-d8)methyl]-3-(trifluoromethyl)phenyl]- [ACD/Index Name]
Ponatinib-d8
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
3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methyl-1-piperazinyl-2,2,3,3,5,5,6,6-d8)methyl]-3-(trifluoromethyl)phenyl]-benzamide
Ponatinib D8

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 145.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 4.01
ACD/KOC (pH 5.5): 24.53
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 179.34
ACD/KOC (pH 7.4): 1095.86
Polar Surface Area: 66 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 412.2±7.0 cm3

Click to predict properties on the Chemicalize site


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