ChemSpider 2D Image | (+)-tetrabenazine | C19H27NO3

(+)-tetrabenazine

  • Molecular FormulaC19H27NO3
  • Average mass317.423 Da
  • Monoisotopic mass317.199097 Da
  • ChemSpider ID23152451

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(+)-tetrabenazine
(3R,11bR)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one
(3R,11bR)-3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isochinolin-2-on [German] [ACD/IUPAC Name]
(3R,11bR)-3-Isobutyl-9,10-diméthoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoléin-2-one [French] [ACD/IUPAC Name]
(3R,11bR)-3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one [ACD/IUPAC Name]
(3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
(3R,11bR)-9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
1026016-83-0 [RN]
200-383-6 [EINECS]
2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, (3R,11bR)- [ACD/Index Name]
More...

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

40090 [DBID]
69ENL3U6BF [DBID]
CHEBI:64029 [DBID]
UNII:69ENL3U6BF [DBID]
UNII-69ENL3U6BF [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A 9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2<element>H</element>-pyrido[2,1-<ital>a</ital>]isoquinolin-2-one in which both stereocentres have <stereo>R</stereo> configuration. ChEBI CHEBI:64029
      A 9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one in which both stereocentres have R configuration. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:64029, CHEBI:64029

    • Bio Activity:

      Others MedChem Express HY-B0590
      Tetrabenazine is a VMAT-inhibitor used for treatment of hyperkinetic movement disorder. MedChem Express
      Tetrabenazine is a VMAT-inhibitor used for treatment of hyperkinetic movement disorder.; Target: Others; tetrabenazine (TBZ), a monoamine-depleting and a dopamine-receptor-blocking drug. MedChem Express HY-B0590
      Tetrabenazine is a VMAT-inhibitor used for treatment of hyperkinetic movement disorder.;Target: ;Tetrabenazine (TBZ), a monoamine-depleting and a dopamine-receptor-blocking drug. TBZ is an effective and safe drug for the treatment of a variety of hyperkinetic movement disorders. In contrast to typical neuroleptics, TBZ has not been demonstrated to cause tardive dyskinesia [1, 2]. Twenty patients with tardive dyskinesia (mean duration = 43.7 months) were videotaped before and after tetrabenazine treatment. One patient did not tolerate tetrabenazine owing to sedation. The remaining 19 were rated after a mean of 20.3 weeks at a mean tetrabenazine dose of 57.9 mg/day. There were significant improvements in mean scores on both the patient AIMS self-rating and the AIMS motor subset evaluated by the blind videotape raters. All 19 patients continued to take tetrabenazine after the study [3]. MedChem Express HY-B0590

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

Density: 1.1±0.1 g/cm3
Boiling Point: 448.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 225.3±28.7 °C
Index of Refraction: 1.554
Molar Refractivity: 90.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 15.14
ACD/KOC (pH 5.5): 126.72
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 135.32
ACD/KOC (pH 7.4): 1132.31
Polar Surface Area: 39 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 281.6±5.0 cm3

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