ChemSpider 2D Image | Paliperidone Palmitate | C39H57FN4O4

Paliperidone Palmitate

  • Molecular FormulaC39H57FN4O4
  • Average mass664.893 Da
  • Monoisotopic mass664.436401 Da
  • ChemSpider ID8028457

More details:

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

199739-10-1 [RN]
3-{2-[4-(6-Fluor-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl}-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-9-ylpalmitat [German] [ACD/IUPAC Name]
3-{2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl}-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-9-yl palmitate [ACD/IUPAC Name]
9-Hydroxyrisperidone palmitate
Hexadecanoic acid, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl ester [ACD/Index Name]
Invega Sustenna [Trade name]
Paliperidone Palmitate [USAN]
Paliperidone Palmitate , (R)-
Palmitate de 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-pipéridinyl]éthyl}-2-méthyl-4-oxo-6,7,8,9-tétrahydro-4H-pyrido[1,2-a]pyrimidin-9-yle [French] [ACD/IUPAC Name]
R8P8USM8FR
More...

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

RO92670 [DBID]
44W02N396B [DBID]
  • Miscellaneous

    • Chemical Class:

      A fatty acid ester obtained by the formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methy l-6,7,8,9-tetrahydropyrido[1,2-<ital>a</ital>]pyrimidin-4-one. ChEBI CHEBI:83808
      A fatty acid ester obtained by the formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methy l-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one. ChEBI CHEBI:83808

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

Density: 1.2±0.1 g/cm3
Boiling Point: 736.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 399.1±35.7 °C
Index of Refraction: 1.590
Molar Refractivity: 187.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 9.85
ACD/LogD (pH 5.5): 6.99
ACD/BCF (pH 5.5): 30200.78
ACD/KOC (pH 5.5): 10794.87
ACD/LogD (pH 7.4): 8.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 541726.31
Polar Surface Area: 88 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 556.1±7.0 cm3

Click to predict properties on the Chemicalize site


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