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Chemical structure of Valbenazine tosylate

GC26029

Valbenazine tosylate

Also known as [(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)

Valbenazine tosylate (NBI-98854) is the tosylate salt of valbenazine, a vesicular monoamine transporter 2 (VMAT2) inhibitor with a Ki value of 150 nM while displaying no significant binding to VAMT1(Ki＜10 μM)

ChemicalCAS1639208-54-0MW762.97FormulaC38H54N2O10S2
CAS number
1639208-54-0
Molecular weight
762.97
Formula
C38H54N2O10S2
Solubility
DMSO： 100 mg/mL (131·07 mM);;
InChIKey
BXGKAGLZHGYAMW-TZYFFPFWSA-N
Catalogue number
GC26029
Brand
GLPBIO
Computed properties PubChem CID 92042922 · TPSA 200 Ų · H-bond donors 3 · H-bond acceptors 12
TPSA
200 Ų
H-bond donors
3
H-bond acceptors
12
Rotatable bonds
10
Heavy atoms
52

SMILES CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C[C@@H]1CN2CCC3=CC(=C(C=C3[C@H]2C[C@H]1OC(=O)[C@H](C(C)C)N)OC)OC

Computed descriptors from PubChem (CID 92042922), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.