ChemSpider 2D Image | 9-{2-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-5-hydroxy-4-methoxyphenoxy}-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol | C39H44N2O8

9-{2-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-5-hydroxy-4-methoxyphenoxy}-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol

  • Molecular FormulaC39H44N2O8
  • Average mass668.775 Da
  • Monoisotopic mass668.309753 Da
  • ChemSpider ID380570

More details:

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

4H-Dibenzo[de,g]quinolin-1-ol, 5,6,6a,7-tetrahydro-9-[5-hydroxy-4-methoxy-2-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]phenoxy]-2,10-dimethoxy-6-methyl- [ACD/Index Name]
9-{2-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isochinolinyl)methyl]-5-hydroxy-4-methoxyphenoxy}-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]chinolin-1-ol [German] [ACD/IUPAC Name]
9-{2-[(6,7-Diméthoxy-2-méthyl-1,2,3,4-tétrahydro-1-isoquinoléinyl)méthyl]-5-hydroxy-4-méthoxyphénoxy}-2,10-diméthoxy-6-méthyl-5,6,6a,7-tétrahydro-4H-dibenzo[de,g]quinoléin-1-ol [French] [ACD/IUPAC Name]
9-{2-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-5-hydroxy-4-methoxyphenoxy}-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol [ACD/IUPAC Name]
1, 4-Didesmethylthalicarpine
61193-40-6 [RN]
DESMETHYLTHALICARPINE, 1,4-DI-
RA 26 B

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

NSC271641 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 789.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 431.5±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 187.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 1.81
ACD/KOC (pH 5.5): 6.53
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 875.93
ACD/KOC (pH 7.4): 3153.03
Polar Surface Area: 102 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 532.4±3.0 cm3

Click to predict properties on the Chemicalize site


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