ChemSpider 2D Image | 9-(2-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-4,5-dimethoxyphenoxy)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-1-ol | C40H46N2O8

9-(2-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-4,5-dimethoxyphenoxy)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-1-ol

  • Molecular FormulaC40H46N2O8
  • Average mass682.802 Da
  • Monoisotopic mass682.325439 Da
  • ChemSpider ID377947

More details:

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

4H-Dibenzo[de,g]quinolin-1-ol, 9-[4,5-dimethoxy-2-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]phenoxy]-5,6,6a,7-tetrahydro-2,10-dimethoxy-6-methyl- [ACD/Index Name]
9-(2-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-4,5-dimethoxyphenoxy)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-1-ol
9-(2-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-4,5-dimethoxyphenoxy)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
9-{2-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isochinolinyl)methyl]-4,5-dimethoxyphenoxy}-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]-4,5-diméthoxyphénoxy}-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]-4,5-dimethoxyphenoxy}-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol [ACD/IUPAC Name]
1-DESMETHYLTHALICARPINE
39032-60-5 [RN]
THALICTROPINE

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

AIDS128014 [DBID]
AIDS-128014 [DBID]
NSC 209759 [DBID]
NSC209759 [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: 774.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 422.0±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 192.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 2.06
ACD/KOC (pH 5.5): 7.20
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1004.01
ACD/KOC (pH 7.4): 3513.69
Polar Surface Area: 91 Å2
Polarizability: 76.2±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 558.0±3.0 cm3

Click to predict properties on the Chemicalize site


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