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Tetrabenazine-d6

CAS No.:
1392826-25-3
Catalog Number:
AG009CKF
Molecular Formula:
C19H21D6NO3
Molecular Weight:
323.4596
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$182
- +
5mg
99%
1 week
United States
$473
- +
10mg
99%
1 week
United States
$821
- +
25mg
99%
1 week
United States
$1446
- +
50mg
99%
1 week
United States
$2279
- +
100mg
99%
1 week
United States
$3946
- +
Product Description
Catalog Number:
AG009CKF
Chemical Name:
Tetrabenazine-d6
CAS Number:
1392826-25-3
Molecular Formula:
C19H21D6NO3
Molecular Weight:
323.4596
MDL Number:
MFCD28964031
IUPAC Name:
(3R,11bR)-3-(2-methylpropyl)-9,10-bis(trideuteriomethoxy)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
InChI:
InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m1/s1/i3D3,4D3
InChI Key:
MKJIEFSOBYUXJB-VFJJUKLQSA-N
SMILES:
CC(C[C@@H]1CN2CCc3c([C@H]2CC1=O)cc(c(c3)OC([2H])([2H])[2H])OC([2H])([2H])[2H])C
Properties
Complexity:
425  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
323.237g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
6  
Molecular Weight:
323.466g/mol
Monoisotopic Mass:
323.237g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Deutetrabenazine for treatment of involuntary movements in patients with tardive dyskinesia (AIM-TD): a double-blind, randomised, placebo-controlled, phase 3 trial. The lancet. Psychiatry 20170801
Randomized controlled trial of deutetrabenazine for tardive dyskinesia: The ARM-TD study. Neurology 20170523
Indirect tolerability comparison of Deutetrabenazine and Tetrabenazine for Huntington disease. Journal of clinical movement disorders 20170101
Deutetrabenazine for Treatment of Chorea in Huntington Disease. JAMA 20160705
Effect of Deutetrabenazine on Chorea Among Patients With Huntington Disease: A Randomized Clinical Trial. JAMA 20160705
Using deuterium in drug discovery: leaving the label in the drug. Journal of medicinal chemistry 20140508
Tetrabenazine as antichorea therapy in Huntington disease: a randomized controlled trial. Neurology 20060214
Properties