ChemSpider 2D Image | HALOPERIDOL-D4 | C21H19D4ClFNO2

HALOPERIDOL-D4

  • Molecular FormulaC21H19D4ClFNO2
  • Average mass379.889 Da
  • Monoisotopic mass379.165253 Da
  • ChemSpider ID23936238

  • Non-standard isotope - Non-standard isotope

More details:

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

1189986-59-1 [RN]
1-Butanone, 4-[4-(4-chlorophenyl-2,3,5,6-d4)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)- [ACD/Index Name]
4-{4-[4-Chlor(2H4)phenyl]-4-hydroxy-1-piperidinyl}-1-(4-fluorphenyl)-1-butanon [German] [ACD/IUPAC Name]
4-{4-[4-Chloro(2H4)phenyl]-4-hydroxy-1-piperidinyl}-1-(4-fluorophenyl)-1-butanone [ACD/IUPAC Name]
4-{4-[4-Chloro(2H4)phényl]-4-hydroxy-1-pipéridinyl}-1-(4-fluorophényl)-1-butanone [French] [ACD/IUPAC Name]
HALOPERIDOL-D4
[1189986-59-1] [RN]
4-[4-(4-chloro-2,3,5,6-tetradeuteriophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
4-[4-(4-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone
4-{4-[4-Chloro(2H4)phenyl]-4-hydroxypiperidin-1-yl}-1-(4-fluorophenyl)butan-1-one
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Dopamine Receptor MedChem Express HY-14538S
      GPCR/G protein MedChem Express HY-14538S
      GPCR/G protein; Neuronal Signaling; MedChem Express HY-14538S
      Haloperidol D4 is deuterium labeled Haloperidol, which can block dopamine receptors in in the treatment of schizophrenia, acute psychosis, and delirium. MedChem Express HY-14538S

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

Density: 1.2±0.1 g/cm3
Boiling Point: 529.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 273.8±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 101.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.56
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 38.78
ACD/KOC (pH 7.4): 277.99
Polar Surface Area: 41 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 303.3±3.0 cm3

Click to predict properties on the Chemicalize site


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