ChemSpider 2D Image | Aripiprazole lauroxil | C36H51Cl2N3O4

Aripiprazole lauroxil

  • Molecular FormulaC36H51Cl2N3O4
  • Average mass660.714 Da
  • Monoisotopic mass659.325684 Da
  • ChemSpider ID28651973

More details:

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

[7-{4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy}-2-oxo-3,4-dihydro-1(2H)-quinolinyl]methyl laurate [ACD/IUPAC Name]
[7-{4-[4-(2,3-Dichlorphenyl)-1-piperazinyl]butoxy}-2-oxo-3,4-dihydro-1(2H)-chinolinyl]methyllaurat [German] [ACD/IUPAC Name]
1259305-29-7 [RN]
Aripiprazole lauroxil [USAN] [Wiki]
Aristada [Trade name]
B786J7A343
Dodecanoic acid, [7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-2-oxo-1(2H)-quinolinyl]methyl ester [ACD/Index Name]
Laurate de [7-{4-[4-(2,3-dichlorophényl)-1-pipérazinyl]butoxy}-2-oxo-3,4-dihydro-1(2H)-quinoléinyl]méthyle [French] [ACD/IUPAC Name]
UNII-B786J7A343
(7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)-2-oxo-3,4-dihydroquinolin-1(2H)-yl)methyl dodecanoate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

RDC-3317 [DBID]
  • Miscellaneous

    • Chemical Class:

      A dodecanoate ester obtained by formal condensation of the carboxy group of dodecanoic acid with the hydroxy group of 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-2-oxo-3,4-dihydroquinolin-1(2<e lement>H</element>)-yl]methanol. A prodrug for aripiprazole, it is used for treatment of schizophrenia. ChEBI CHEBI:90930

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 781.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 426.6±32.9 °C
Index of Refraction: 1.551
Molar Refractivity: 182.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 11.18
ACD/LogD (pH 5.5): 8.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 258183.31
ACD/LogD (pH 7.4): 10.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8011339.00
Polar Surface Area: 62 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 572.7±3.0 cm3

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