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164104-49-8

164104-49-8 Structure

164104-49-8 Structure
IdentificationBack Directory
[Name]

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

164104-49-8
[Synonyms]

TETRABENAZINE METABOLITE C
(2S,3S,11bS)-3-Isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-ol
(2S,3S,11bS)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ol
(2S,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-ol
2H-Benzo[a]quinolizin-2-ol, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, (2S,3S,11bS)-
[Molecular Formula]

C19H29NO3
[MDL Number]

MFCD11113299
[MOL File]

164104-49-8.mol
[Molecular Weight]

319.44
Chemical PropertiesBack Directory
[Melting point ]

107-108 °C(Solv: hexane (110-54-3))
[Boiling point ]

457.8±45.0 °C(Predicted)
[density ]

1.13±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

14.75±0.40(Predicted)
[InChI]

InChI=1S/C19H29NO3/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/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/t14-,16-,17-/m0/s1
[InChIKey]

WEQLWGNDNRARGE-XIRDDKMYSA-N
[SMILES]

C12=CC(OC)=C(OC)C=C1CCN1[C@@]2([H])C[C@H](O)[C@@H](CC(C)C)C1
Hazard InformationBack Directory
[Uses]

(2S,3S,11bS)-Dihydrotetrabenazine is a?vesicular monoamine transporter 2?(VMAT2)?inhibitor. It also has various medical uses including treatment for asthma, anxiety and dementia.
[Definition]

ChEBI: (2S,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol is a member of isoquinolines.
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