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1025504-45-3,MFCD28963976
Catalog No.:AA0007MM
1025504-45-3 | Valbenazine
Pack Size
Purity
Availability
Price(USD)
Quantity
  
2mg
99%
1 week  
$184.00   $129.00
- +
5mg
99%
1 week  
$317.00   $222.00
- +
10mg
99%
1 week  
$450.00   $315.00
- +
25mg
99%
1 week  
$908.00   $635.00
- +
50mg
99%
1 week  
$1,289.00   $902.00
- +
100mg
99%
1 week  
$2,336.00   $1,635.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0007MM
Chemical Name:
Valbenazine
CAS Number:
1025504-45-3
Molecular Formula:
C24H38N2O4
Molecular Weight:
418.5695
MDL Number:
MFCD28963976
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
InChI:
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
InChI Key:
GEJDGVNQKABXKG-CFKGEZKQSA-N
SMILES:
COc1cc2c(cc1OC)CCN1[C@@H]2C[C@@H](OC(=O)[C@H](C(C)C)N)[C@@H](C1)CC(C)C
UNII:
54K37P50KH
Properties
Computed Properties
 
Complexity:
569  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
418.283g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
418.578g/mol
Monoisotopic Mass:
418.283g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

Synonyms
 
(2R,3R,11BR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H- benzo(a)quinolizin-2-yl l-valinate 
NBI-98854 
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;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 
Valbenazine [USAN:INN] 
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 
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 
Valbenazine (USAN/INN) 
GTPL8694 
CHEMBL2364639 
SCHEMBL15932979 
GEJDGVNQKABXKG-CFKGEZKQSA-N 
EX-A2002 
valbenazine 
MFCD28963976 
ZINC43195697 
CS-5908 
DB11915 
SB17456 
Valbenazine pound NBI-98854 pound(c) 
AS-35294 
HY-16771 
D10675 
NBI-98854;NBI98854;NBI 98854 
valine 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo(a)quinolizin-2-yl ester 
(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 
(2R,3R,11bR)-9,10-Dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H- benzo(a)quinolizin-2-yl L-valinate 
(S)-2-amino-3-methyl-butyric 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 
[(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl] (2S)-2-amino-3-methylbutanoate 
Valbenazine tosylate 
Valbenazine [USAN] 
Valbenazine ditosylate 
NBI-98854 
D0IX1I 
NBI-98782 
Valbenazine 
VMAT-2 inhibitor (CNS disease), Neurocrine 
Vesicular monoamine transporter 2 inhibitor (CNS indications), Neurocrine 
1025504-45-3 
Ingrezza 
UNII-54K37P50KH 
NBI 98854 
54K37P50KH 
Literature

Title: Pharmacologic Characterization of Valbenazine (NBI-98854) and Its Metabolites.

Journal: The Journal of pharmacology and experimental therapeutics 20170601

Title: NBI-98854, a selective monoamine transport inhibitor for the treatment of tardive dyskinesia: A randomized, double-blind, placebo-controlled study.

Journal: Movement disorders : official journal of the Movement Disorder Society 20151001

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