Found 1 result

Search term: neopinone (Found by approved synonym)
ChemSpider 2D Image | neopinone | C18H19NO3

neopinone

  • Molecular FormulaC18H19NO3
  • Average mass297.348 Da
  • Monoisotopic mass297.136505 Da
  • ChemSpider ID24604032

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5α)-3-Methoxy-17-methyl-8,14-didehydro-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
(5α)-3-Methoxy-17-methyl-8,14-didehydro-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
(5α)-3-Méthoxy-17-méthyl-8,14-didéhydro-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
105762-42-3 [RN]
509-66-0 [RN]
Morphinan-6-one, 8,14-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5α)- [ACD/Index Name]
neopinone
(5α)-8,14-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-one
3-methoxy-17-methyl-8,14-didehydro-4,5α-epoxymorphinan-6-one
44050 [Beilstein]
More...

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

105762-42-3; 509-66-0 [DBID]
  • Miscellaneous

    • Chemical Class:

      The <locant>beta</locant>,<locant>gamma</locant>-unsaturated ketone resulting from the hydrolysis of the methyl enol ether group of thebaine. It is a key intermediate in the biosynthesis of codeine an d morphine in the opium poppy, <ital>Papaver somniferum</ital>. ChEBI CHEBI:7510
      The beta,gamma-unsaturated ketone resulting from the hydrolysis of the methyl enol ether group of thebaine. It is a key intermediate in the biosynthesis of codeine an; d morphine in the opium poppy, P apaver somniferum. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:7510
      The beta,gamma-unsaturated ketone resulting from the hydrolysis of the methyl enol ether group of thebaine. It is a key intermediate in the biosynthesis of codeine and morphine in the opium poppy, Pap aver somniferum. ChEBI CHEBI:7510

    • Compound Source:

      Linum usitatissimum PlantCyc CPD-7712
      morphine biosynthesis PlantCyc CPD-7712

    • Bio Activity:

      neopinone -> codeinone PlantCyc CPD-7712
      thebaine + 2-oxoglutarate + oxygen -> neopinone + formaldehyde + succinate + CO2 PlantCyc CPD-7712

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

Density: 1.3±0.1 g/cm3
Boiling Point: 470.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 238.0±28.7 °C
Index of Refraction: 1.657
Molar Refractivity: 81.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.25
ACD/KOC (pH 7.4): 26.64
Polar Surface Area: 39 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 220.8±5.0 cm3

Click to predict properties on the Chemicalize site


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