ChemSpider 2D Image | (2S,3R,12bS)-11-(1-Methyl-2-pyrrolidinyl)-2-{[(1S)-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]methyl}-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-10-ol | C35H43N5O

(2S,3R,12bS)-11-(1-Methyl-2-pyrrolidinyl)-2-{[(1S)-2-methyl-2,3,4,9-tetrahydro-1H-β-carbolin-1-yl]methyl}-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-10-ol

  • Molecular FormulaC35H43N5O
  • Average mass549.749 Da
  • Monoisotopic mass549.346741 Da
  • ChemSpider ID147750

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2S,3R,12bS)-11-(1-Methyl-2-pyrrolidinyl)-2-{[(1S)-2-methyl-2,3,4,9-tetrahydro-1H-β-carbolin-1-yl]methyl}-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]chinolizin-10-ol [German] [ACD/IUPAC Name]
(2S,3R,12bS)-11-(1-Methyl-2-pyrrolidinyl)-2-{[(1S)-2-methyl-2,3,4,9-tetrahydro-1H-β-carbolin-1-yl]methyl}-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-10-ol [ACD/IUPAC Name]
(2S,3R,12bS)-11-(1-Méthyl-2-pyrrolidinyl)-2-{[(1S)-2-méthyl-2,3,4,9-tétrahydro-1H-β-carbolin-1-yl]méthyl}-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-10-ol [French] [ACD/IUPAC Name]
Indolo[2,3-a]quinolizin-10-ol, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-11-(1-methyl-2-pyrrolidinyl)-2-[[(1S)-2,3,4,9-tetrahydro-2-methyl-1H-pyrido[3,4-b]indol-1-yl]methyl]-, (2S,3R,12bS)- [ACD/Index Name]
(2S,3R,12BS)-3-ETHENYL-2-{[(1S)-2-METHYL-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOL-1-YL]METHYL}-11-(1-METHYLPYRROLIDIN-2-YL)-1H,2H,3H,4H,6H,7H,12H,12BH-INDOLO[2,3-A]QUINOLIZIN-10-OL
(2S,3R,12BS)-3-ETHENYL-2-{[(1S)-2-METHYL-1H,3H,4H,9H-PYRIDO[3,4-B]INDOL-1-YL]METHYL}-11-(1-METHYLPYRROLIDIN-2-YL)-1H,2H,3H,4H,6H,7H,12H,12BH-INDOLO[2,3-A]QUINOLIZIN-10-OL
67673-13-6 [RN]
Indolo(2,3-a)quinolizin-10-ol, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-11-((2S)-1-methyl-2-pyrrolidinyl))-2-(((1S)-2,3,4,9-tetrahydro-2-methyl-1H-pyrido(3,4-b)indol-1-yl)methyl)-, (2S,3R,12bS)-
INDOLO[2,3-A]QUINOLIZIN-10-OL,3-ETHENYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-11-[(2S)-1-METHYL-2-PYRROLIDINYL]-2-[[(1S)-2,3,4,9-TETRAHYDRO-2-METHYL-1H-PYRIDO[3,4-B]INDOL-1-YL]METHYL]-,(2S,3R,12BS)- (9CI)
isostrychnopentamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 699.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 377.0±31.5 °C
Index of Refraction: 1.723
Molar Refractivity: 167.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.86
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 62 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 421.7±5.0 cm3

Click to predict properties on the Chemicalize site


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