MedKoo Cat#: 414291 | Name: Valbenazine dihydrochloride

Description:

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

Valbenazine dihydrochloride inhibits vesicular monoamine transporter 2 (VMAT2); used to treat tardive dyskinesia.

Chemical Structure

Valbenazine dihydrochloride
Valbenazine dihydrochloride
CAS#1639208-51-7 (2HCl)

Theoretical Analysis

MedKoo Cat#: 414291

Name: Valbenazine dihydrochloride

CAS#: 1639208-51-7 (2HCl)

Chemical Formula: C24H40Cl2N2O4

Exact Mass: 490.2365

Molecular Weight: 491.49

Elemental Analysis: C, 58.65; H, 8.20; Cl, 14.43; N, 5.70; O, 13.02

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
Synonym
Valbenazine dihydrochloride; NBI98854 dihydrochloride; NBI 98854 dihydrochloride; NBI-98854 dihydrochloride
IUPAC/Chemical Name
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, hydrochloride (1:2)
InChi Key
PMSGGBFTMLDQAW-TZYFFPFWSA-N
InChi Code
InChI=1S/C24H38N2O4.2ClH/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;2*1H/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.[H]Cl.[H]Cl
Appearance
Solid powder
Purity
>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).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 491.49 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Patel RS, Mansuri Z, Motiwala F, Saeed H, Jannareddy N, Patel H, Zafar MK. A systematic review on treatment of tardive dyskinesia with valbenazine and deutetrabenazine. Ther Adv Psychopharmacol. 2019 May 20;9:2045125319847882. doi: 10.1177/2045125319847882. eCollection 2019. Review. PubMed PMID: 31205680; PubMed Central PMCID: PMC6535739. 2: Stahl SM. Comparing pharmacologic mechanism of action for the vesicular monoamine transporter 2 (VMAT2) inhibitors valbenazine and deutetrabenazine in treating tardive dyskinesia: does one have advantages over the other? CNS Spectr. 2018 Aug;23(4):239-247. doi: 10.1017/S1092852918001219. Review. PubMed PMID: 30160230. 3: Touma KTB, Scarff JR. Valbenazine and Deutetrabenazine for Tardive Dyskinesia. Innov Clin Neurosci. 2018 Jun 1;15(5-6):13-16. Review. PubMed PMID: 30013814; PubMed Central PMCID: PMC6040721. 4: Harriott ND, Williams JP, Smith EB, Bozigian HP, Grigoriadis DE. VMAT2 Inhibitors and the Path to Ingrezza (Valbenazine). Prog Med Chem. 2018;57(1):87-111. doi: 10.1016/bs.pmch.2017.12.002. Epub 2018 Mar 7. Review. PubMed PMID: 29680151. 5: Sarva H, Henchcliffe C. Valbenazine as the first and only approved treatment for adults with tardive dyskinesia. Expert Rev Clin Pharmacol. 2018 Mar;11(3):209-217. doi: 10.1080/17512433.2018.1429264. Epub 2018 Jan 23. Review. PubMed PMID: 29338466. 6: Müller T. Valbenazine for the treatment of tardive dyskinesia. Expert Rev Neurother. 2017 Dec;17(12):1135-1144. doi: 10.1080/14737175.2017.1386556. Epub 2017 Oct 12. Review. PubMed PMID: 28971695. 7: Freudenreich O, Remington G. Valbenazine for Tardive Dyskinesia. Clin Schizophr Relat Psychoses. Summer 2017;11(2):113-119. doi: 10.3371/CSRP.OFGR.071717. Review. PubMed PMID: 28742396. 8: Kim ES. Valbenazine: First Global Approval. Drugs. 2017 Jul;77(10):1123-1129. doi: 10.1007/s40265-017-0770-9. Review. PubMed PMID: 28578484. 9: Citrome L. Valbenazine for tardive dyskinesia: A systematic review of the efficacy and safety profile for this newly approved novel medication-What is the number needed to treat, number needed to harm and likelihood to be helped or harmed? Int J Clin Pract. 2017 Jul;71(7). doi: 10.1111/ijcp.12964. Epub 2017 May 12. Review. PubMed PMID: 28497864. 10: Barquero N. Valbenazine for the treatment of tardive dyskinesia. Drugs Today (Barc). 2016 Dec;52(12):665-672. doi: 10.1358/dot.2016.52.12.2570977. Review. PubMed PMID: 28276538.