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1026016-83-0,MFCD08461052
Catalog No.:AA0007ST
1026016-83-0 | Tetrabenazine (+)-
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25mg
97%
in stock  
$124.00   $87.00
- +
100mg
97%
in stock  
$251.00   $176.00
- +
1g
97%
in stock  
$600.00   $420.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA0007ST
Chemical Name:
Tetrabenazine (+)-
CAS Number:
1026016-83-0
Molecular Formula:
C19H27NO3
Molecular Weight:
317.4226
MDL Number:
MFCD08461052
IUPAC Name:
(3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-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
InChI Key:
MKJIEFSOBYUXJB-GDBMZVCRSA-N
SMILES:
COc1cc2c(cc1OC)CCN1[C@@H]2CC(=O)[C@@H](C1)CC(C)C
UNII:
69ENL3U6BF
Properties
Computed Properties
 
Complexity:
425  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
317.199g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.429g/mol
Monoisotopic Mass:
317.199g/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  

Synonyms
 
(+)-Tetrabenazine 
1026016-83-0 
(+)-Ro 1-9569 
Tetrabenazine, (+)- 
(3R,11bR)-3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-pyrido[2,1-a]isoquinolin-2-one 
(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 
(R,R)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one 
(+)-Tbz 
(3R,11bR)-Tbz 
Tetrabenazine R,R-form [MI] 
1026016-84-1 
(3R,11Br)-Tetrabenazine 
AK172006 
Tetrabenazine(Nitoman) 
Tetrabenazine (Xenazine) 
AC1LDI4I 
ZINC751 
SCHEMBL340173 
HY-B0590B 
9,10-Dimethoxy-1,3,4,6,7,11b-hexahydro-3-isobutyl-2H-benzo[a]quinolizin-2-one 
MKJIEFSOBYUXJB-GDBMZVCRSA-N 
(3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one 
Tetrabenazine ((+)-) 
BDBM50048891 
AKOS025290764 
CS-5827 
PB25061 
SB13207 
KS-000008V2 
Tetrabenazine, >=98% (HPLC), solid 
(3R,11bR)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo(a)quinolizin-2-one 
2H-Benzo(a)quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, (3R,11bR)- 
AC-22623 
UNII-69ENL3U6BF 
AN-25920 
058T468 
BRD-K24125544-001-01-3 
UNII-Z9O08YRN8O component MKJIEFSOBYUXJB-GDBMZVCRSA-N 
(3R,11bR)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one 
(+)-TBZ|||9,10-Dimethoxy-1,3R,4,6,7,11bR-hexahydro-3-isobutyl-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]isoquinolin-2-one 
2H-Benzo[a]quinolizin-2-one,1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, (3R,11bR)-rel- 
TETRABENAZINE 
Ro 1-9569 
(3R,11bR)-3-isobutyl-9,10-dimethoxy-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one 
A10919 
58-46-8 
2H-BENZO[A]QUINOLIZIN-2-ONE, 1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-3-(2-METHYLPROPYL)-, (3R,11BR)- 
69ENL3U6BF 
CHEMBL61636 
CHEBI:64029 
(-)-tetrabenazine 
Literature

Title: Tetrabenazine for the treatment of chorea and other hyperkinetic movement disorders.

Journal: Expert review of neurotherapeutics 20111101

Title: Preparation and evaluation of tetrabenazine enantiomers and all eight stereoisomers of dihydrotetrabenazine as VMAT2 inhibitors.

Journal: European journal of medicinal chemistry 20110501

Title: Quadriparesis and dysarthria due to tetrabenazine therapy in a child with rheumatic chorea.

Journal: Indian journal of pharmacology 20110101

Title: Dantrolene is neuroprotective in Huntington's disease transgenic mouse model.

Journal: Molecular neurodegeneration 20110101

Title: Tetrabenazine, a monoamine-depleting drug used in the treatment of hyperkinetic movement disorders.

Journal: The American journal of geriatric pharmacotherapy 20100801

Title: Calcium signaling and neurodegeneration.

Journal: Acta naturae 20100401

Title: ELBARA II, an L-band radiometer system for soil moisture research.

Journal: Sensors (Basel, Switzerland) 20100101

Title: Tetrabenazine in the treatment of Huntington's disease.

Journal: Neuropsychiatric disease and treatment 20071001

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