Valbenazine tosylate Chemical Structure (2D and 3D)

2D Structure

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2D chemical structural formula diagram.

3D Structure

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This 3D model represents a theoretically simulated conformation and is for reference only.

Check the Valbenazine tosylate product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name	[(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;bis(4-methylbenzenesulfonic acid)
CAS Number	1639208-54-0
Molecular Formula	C₃₈H₅₄N₂O₁₀S₂
Molecular Weight (MW)	762.97
SMILES	CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1OC(=O)C(C(C)C)N)OC)OC
InChIKey	BXGKAGLZHGYAMW-TZYFFPFWSA-N

Concentration Volume Mass

Batch:

All in vitro solubility values are batch-tested experimental data (non-literature values).

Solvent	Solubility & Note
DMSO	100 mg/mL (131.06 mM) (Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Water	25 mg/mL
Ethanol	Insoluble
DMSO	100 mg/mL (131.06 mM) (Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)

FAQ

Q: Why does a DMSO stock precipitate in media/saline?

A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.

How to fix it?