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ChemicalBook--->CAS DataBase List--->1025504-45-3

1025504-45-3

1025504-45-3 Structure

1025504-45-3 Structure
IdentificationBack Directory
[Name]

Valbenazine
[CAS]

1025504-45-3
[Synonyms]

CS-2484
Valbenazine
Valbenazine Free base
Valbenazine(NBI-98854)
Valbenazine (~90% Purity)
Tetrabenazine Related Impurity 28
NBI-98854; NBI 98854; NBI98854; VALBENAZINE
Tetrabenazine Related Impurity 28 (2R, 3R, 11bR, L-Val)
L-Valine, (2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-yl ester
(S)-(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl 2-amino-3-methylbutanoate
[(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl] (2S)-2-amino-3-methylbutanoate
(S)-2-amino-3 -methylbutyric acid(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl ester
[Molecular Formula]

C24H38N2O4
[MDL Number]

MFCD28963976
[MOL File]

1025504-45-3.mol
[Molecular Weight]

418.57
Chemical PropertiesBack Directory
[Melting point ]

>75°C (dec.)
[Boiling point ]

507.2±50.0 °C(Predicted)
[density ]

1.11±0.1 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

7.76±0.33(Predicted)
[color ]

Light Yellow to Yellow
[InChIKey]

GEJDGVNQKABXKG-CFKGEZKQSA-N
[SMILES]

C(O[C@@H]1C[C@]2([H])C3=CC(OC)=C(OC)C=C3CCN2C[C@H]1CC(C)C)(=O)[C@H](C(C)C)N
Safety DataBack Directory
[Symbol(GHS) ]


GHS08,GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H373-H336
[Precautionary statements ]

P264-P270-P301+P310-P321-P330-P405-P501-P260-P314-P501-P261-P271-P304+P340-P312-P403+P233-P405-P501
Hazard InformationBack Directory
[Uses]

Valbenzine is a highly selective vesicular monoamine transporter 2 inhibitor. It is used in the treatment of tardive dykinesia.
[in vivo]

Valbenazine (10 mg/kg; orally) induces ptosis (primarily an adrenergic response) and increases plasma prolactin primarily a dopaminergic response in rats[1].

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