Valbenazine free base

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 558280

CAS#: 1025504-45-3 (free base)

Description: Valbenazine, also known as NBI-98854 and MT-5199, is a potent and selective VMAT2 inhibitor. NBI-98854 is effective in regulating the levels of dopamine release during nerve communication, while at the same time having minimal impact on the other monoamines. NBI-98854 is promising agent for the treatment of tardive dyskinesia.NBI-98854 significantly improved tardive dyskinesia and was well tolerated in patients. These results support the phase 3 clinical trials of NBI-98854 now underway.

Price and Availability


USD 4250

USD 5950

USD 9650

Valbenazine free base is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to to inquire quote.

Chemical Structure


Theoretical Analysis

MedKoo Cat#: 558280
Name: Valbenazine free base
CAS#: 1025504-45-3 (free base)
Chemical Formula: C24H38N2O4
Exact Mass: 418.2832
Molecular Weight: 418.578
Elemental Analysis: C, 68.87; H, 9.15; N, 6.69; O, 15.29

Related CAS #: 1025504-45-3 (free base)   1639208-54-0 (tosylayte)   1639208-51-7 (2HCl)  

Synonym: NBI-98854; NBI 98854; NBI98854; MT-5199; MT 5199; MT5199; Valbenazine

IUPAC/Chemical Name: (2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl L-valinate


InChi Code: InChI=1S/C24H38N2O4/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3/t17-,19-,20-,23+/m1/s1

SMILES Code: N[C@@H](C(C)C)C(O[C@H]1[C@H](CC(C)C)CN2CCC3=CC(OC)=C(OC)C=C3[C@@]2([H])C1)=O

Technical Data

White to off-white crystalline powder

>98% (or refer to the Certificate of Analysis)

Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition:
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Soluble in DMSO, not in water

Shelf Life:
>2 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

Stock Solution Storage:
0 - 4 C for short term (days to weeks), or -20 C for long term (months).

Harmonized System Code:

Additional Information

Related CAS#
1025504-45-3 (Valbenazine free base)
1639208-54-0 (Valbenazine tartrate)
1639208-51-7 (Valbenazine dihydrochloride)


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