ChemSpider 2D Image | Opicapone | C15H10Cl2N4O6

Opicapone

  • Molecular FormulaC15H10Cl2N4O6
  • Average mass413.169 Da
  • Monoisotopic mass411.997742 Da
  • ChemSpider ID24667564

More details:






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

1,2-Benzenediol, 5-[3-(2,5-dichloro-4,6-dimethyl-1-oxido-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-nitro- [ACD/Index Name]
5-[3-(2,5-Dichlor-4,6-dimethyl-1-oxido-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-nitro-1,2-benzoldiol [German] [ACD/IUPAC Name]
5-[3-(2,5-Dichloro-4,6-dimethyl-1-oxido-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-nitro-1,2-benzenediol [ACD/IUPAC Name]
5-[3-(2,5-Dichloro-4,6-diméthyl-1-oxydo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-nitro-1,2-benzènediol [French] [ACD/IUPAC Name]
923287-50-7 [RN]
9268
Opicapone [Spanish] [INN]
Opicapone [French] [INN]
Opicaponum [Latin] [INN]
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      COMT MedChem Express HY-14896
      Opicapone(BIA 9-1067) is a long-acting, peripherally selective inhibitor of catechol-O-methyltransferase. MedChem Express
      Opicapone(BIA 9-1067) is a long-acting, peripherally selective inhibitor of catechol-O-methyltransferase.; IC50 value:; Target: COMT; Single rising oral doses of opicapone (10, 25, 50, 100, 200, 400, 800 and 1,200 mg) were administered to eight groups of eight subjects per group (two subjects randomized to placebo and six subjects to opicapone), under a double-blind, randomized, placebo-controlled design. MedChem Express HY-14896
      Opicapone(BIA 9-1067) is a long-acting, peripherally selective inhibitor of catechol-O-methyltransferase.;IC50 value:;Target: COMTSingle rising oral doses of opicapone (10, 25, 50, 100, 200, 400, 800 and 1,200 mg) were administered to eight groups of eight subjects per group (two subjects randomized to placebo and six subjects to opicapone), under a double-blind, randomized, placebo-controlled design. In an additional group of 12 subjects, a 50 mg single dose of opicapone was administered on two occasions, once having fasted overnight and once with a high-fat high-calorie meal.Opicapone was well tolerated at all doses tested [2]. MedChem Express HY-14896
      Others MedChem Express HY-14896

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

Density: 1.8±0.1 g/cm3
Boiling Point: 701.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 377.8±35.7 °C
Index of Refraction: 1.741
Molar Refractivity: 92.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 10.94
ACD/KOC (pH 5.5): 126.39
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.43
Polar Surface Area: 151 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 71.7±7.0 dyne/cm
Molar Volume: 229.3±7.0 cm3

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