CAS RN 1025504-45-3

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Valbenazine (~90% Purity), TRC

CAS: 1025504-45-3 Chemical Name or Material: Valbenazine Formula Weight: 418.2832 InChI Formula: 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 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 Molecular Formula: C24 H38 N2 O4 Molecular Weight (g/mol): 418.57 Recommended Storage: -20°C SMILES: COc1cc2CCN3C[C@@H](CC(C)C)[C@@H](C[C@@H]3c2cc1OC)OC(=O)[C@@H](N)C(C)C Synonym: 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,Ingrezza,NBI 98854,Valbenazine,(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl L-valinate

Pricing and Availability
Specifications

CAS	1025504-45-3
Molecular Weight (g/mol)	418.57
InChI Formula	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
Chemical Name or Material	Valbenazine
Synonym	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,Ingrezza,NBI 98854,Valbenazine,(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl L-valinate
SMILES	COc1cc2CCN3C[C@@H](CC(C)C)[C@@H](C[C@@H]3c2cc1OC)OC(=O)[C@@H](N)C(C)C
Recommended Storage	-20°C
Molecular Formula	C24 H38 N2 O4
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
Formula Weight	418.2832

Valbenazine, MedChemExpress

MedChemExpress Valbenazine (NBI-98854) is a vesicular monoamine transporter 2 (VMAT2) inhibitor with the Ki of 110-190 nM.

Pricing and Availability
Specifications

Molecular Weight (g/mol)	418.57
Color	Light Yellow
Physical Form	Solid
Chemical Name or Material	Valbenazine
Grade	Research
SMILES	O=C([C@@H](N)C(C)C)O[C@@H]1C[C@]2([H])C3=CC(OC)=C(OC)C=C3CCN2C[C@H]1CC(C)C
For Use With (Application)	Neuroscience-Neuromodulation
Percent Purity	98.0%
CAS	1025504-45-3
Solubility Information	DMSO : 50 mg/mL (119.45 mM; Need ultrasonic)
Health Hazard 1	H301∣H336∣H373
Synonym	NBI-98854
Purity Grade Notes	Research
Recommended Storage	Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life	Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula	C₂₄H₃₈N₂O₄
Formula Weight	418.57

CAS RN 1025504-45-3

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