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1026016-83-0

1026016-83-0 Structure

1026016-83-0 Structure
IdentificationBack Directory
[Name]

2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, (3R,11bR)-
[CAS]

1026016-83-0
[Synonyms]

11bR)-TBZ
(3R,11bR)-TBZ
(+)-Tetrabenazine
11bR)-Tetrabenazine
(3R,11bR)-Tetrabenazine
(+)-Tetrabenazine (TBZ)
(+)-TETRABENAZINE;(+)-TBZ;(3R;11BR)-TBZ;(3R;11BR)-TETRABENAZINE
(3R,11bR)-9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
(3R,11bR)-3-Isobutyl-9,10-dimethoxy-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one
(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)-
[Molecular Formula]

C19H27NO3
[MDL Number]

MFCD08461052
[MOL File]

1026016-83-0.mol
[Molecular Weight]

317.42
Chemical PropertiesBack Directory
[Melting point ]

108-110 °C
[Boiling point ]

448.9±45.0 °C(Predicted)
[density ]

1.12
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Chloroform (Slightly), Dichloromethane (Slightly), Ethyl Acetate (Slightly)
[form ]

Solid
[pka]

6.46±0.40(Predicted)
[color ]

White
[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
[InChIKey]

MKJIEFSOBYUXJB-GDBMZVCRSA-N
[SMILES]

C12=CC(OC)=C(OC)C=C1CCN1[C@]2([H])CC(=O)[C@H](CC(C)C)C1
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Hazard InformationBack Directory
[Uses]

(3R,11bR)-Tetrabenazine is an isomer of Tetrabenazine (T284000), a dopamine depleting agent, an antidyskinetic and antipsychotic.
[Definition]

ChEBI: 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.
Spectrum DetailBack Directory
[Spectrum Detail]

2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, (3R,11bR)-(1026016-83-0)1HNMR
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