ChemSpider 2D Image | Aripiprazole-d8 (piperazinyl-d8) | C23H19D8Cl2N3O2

Aripiprazole-d8 (piperazinyl-d8)

  • Molecular FormulaC23H19D8Cl2N3O2
  • Average mass456.435 Da
  • Monoisotopic mass455.198242 Da
  • ChemSpider ID23935308

  • Non-standard isotope - Non-standard isotope

More details:

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

Aripiprazole-d8 (piperazinyl-d8)
1089115-06-9 [RN]
2(1H)-Quinolinone, 7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl-2,2,3,3,5,5,6,6-d8]butoxy]-3,4-dihydro- [ACD/Index Name]
7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl-2,2,3,3,5,5,6,6-d8]butoxy]-3,4-dihydro-2(1H)-quinolinone
7-{4-[4-(2,3-Dichlorophényl)(2H8)-1-pipérazinyl]butoxy}-3,4-dihydro-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
7-{4-[4-(2,3-Dichlorophenyl)(2H8)-1-piperazinyl]butoxy}-3,4-dihydro-2(1H)-quinolinone [ACD/IUPAC Name]
7-{4-[4-(2,3-Dichlorphenyl)(2H8)-1-piperazinyl]butoxy}-3,4-dihydro-2(1H)-chinolinon [German] [ACD/IUPAC Name]
Aripiprazole-d8
7-?[4-?[4-?(2,?3-?dichlorophenyl)?-?1-?piperazinyl-?2,?2,?3,?3,?5,?5,?6,?6-?d8]?butoxy]?-?3,?4-?dihydro-2(1H)?-?Quinolinone
7-[4-[2,2,3,3,5,5,6,6-octadeuterio-4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      5-HT Receptor MedChem Express HY-14546S
      Aripiprazole D8 is the deuterium labeled Aripiprazole, which is a human 5-HT1A receptor partial agonist with a Ki of 4.2 nM. MedChem Express HY-14546S
      GPCR/G protein MedChem Express HY-14546S
      GPCR/G protein; Neuronal Signaling; MedChem Express HY-14546S

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

Density: 1.3±0.1 g/cm3
Boiling Point: 646.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.6±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 120.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 104.81
ACD/KOC (pH 5.5): 317.13
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3248.12
ACD/KOC (pH 7.4): 9828.60
Polar Surface Area: 45 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 355.0±3.0 cm3

Click to predict properties on the Chemicalize site


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