ChemSpider 2D Image | MFCD01004609 | C41H48N2O8

MFCD01004609

  • Molecular FormulaC41H48N2O8
  • Average mass696.828 Da
  • Monoisotopic mass696.341064 Da
  • ChemSpider ID530199

More details:

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

4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-9-(4,5-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-1,2,10-trimethoxy-6-methyl-
4H-Dibenzo[de,g]quinoline, 9-[4,5-dimethoxy-2-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]phenoxy]-5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl- [ACD/Index Name]
9-[4,5-Dimethoxy-2-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]phenoxy]-5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-4H-dibenzo[de,g]quinoline
9-{2-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isochinolinyl)methyl]-4,5-dimethoxyphenoxy}-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]chinolin [German] [ACD/IUPAC Name]
9-{2-[(6,7-Diméthoxy-2-méthyl-1,2,3,4-tétrahydro-1-isoquinoléinyl)méthyl]-4,5-diméthoxyphénoxy}-1,2,10-triméthoxy-6-méthyl-5,6,6a,7-tétrahydro-4H-dibenzo[de,g]quinoléine [French] [ACD/IUPAC Name]
9-{2-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-4,5-dimethoxyphenoxy}-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline [ACD/IUPAC Name]
MFCD01004609
Thalicarpine
(+)-Thalicarpine
4H-Dibenzo(de,g)quinoline, 9-(4,5-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, (S-(R*,R*))-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8X1D791RF6 [DBID]
C09655 [DBID]
NSC 68075 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 762.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 181.4±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 196.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 6.85
ACD/KOC (pH 5.5): 18.45
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 2692.64
ACD/KOC (pH 7.4): 7247.63
Polar Surface Area: 80 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 583.6±3.0 cm3

Click to predict properties on the Chemicalize site


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