ChemicalBook--->CAS DataBase List--->99672-64-7

99672-64-7

99672-64-7 Structure

99672-64-7 Structure
IdentificationBack Directory
[Name]

Tetrabenazine Related Impurity 1
[CAS]

99672-64-7
[Synonyms]

Tetrabenazine Related Impurity
Tetrabenazine Related Impurity 1
rac-3(Desisobutyl)-5-Isobutyl Tetrabenazine
1,3,4,6,7,11b-Hexahydro-1-isobutyl-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one
1-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-pyrido[2,1-a]isoquinolin-2-one
9,10-dimethoxy-1-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
1-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
1-Isobutyl-9,10-dimethoxy-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one
1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-1-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one
2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-1-(2-methylpropyl)-
[Molecular Formula]

C19H27NO3
[MDL Number]

MFCD22683894
[MOL File]

99672-64-7.mol
[Molecular Weight]

317.42
Chemical PropertiesBack Directory
[Boiling point ]

448.9±45.0 °C(Predicted)
[density ]

1.12±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

6.46±0.40(Predicted)
[InChI]

InChI=1S/C19H27NO3/c1-12(2)9-15-16(21)6-8-20-7-5-13-10-17(22-3)18(23-4)11-14(13)19(15)20/h10-12,15,19H,5-9H2,1-4H3
[InChIKey]

QHKOTJDXBVOEMS-UHFFFAOYSA-N
[SMILES]

C12=CC(OC)=C(OC)C=C1CCN1C2C(CC(C)C)C(=O)CC1
Hazard InformationBack Directory
[Uses]

1,3,4,6,7,11b-Hexahydro-1-isobutyl-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one is an impurity of Tetrabenazine (T284000); a dopamine depleting agent, an antidyskinetic and antipsychotic.
Spectrum DetailBack Directory
[Spectrum Detail]

Tetrabenazine Related Impurity 1(99672-64-7)1HNMR
Tetrabenazine Related Impurity 1(99672-64-7)13CNMR
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