Analyte Name

N-Carboxybenzyl Valbenazine

CAS Number

1025504-76-0

Molecular Formula

C32H44N2O6

Molecular Weight

552.7

Accurate Mass

552.3199

SMILES

COc1cc2CCN3C[C@@H](CC(C)C)[C@@H](C[C@@H]3c2cc1OC)OC(=O)[C@@H](NC(=O)OCc4ccccc4)C(C)C

InChI

InChI=1S/C32H44N2O6/c1-20(2)14-24-18-34-13-12-23-15-28(37-5)29(38-6)16-25(23)26(34)17-27(24)40-31(35)30(21(3)4)33-32(36)39-19-22-10-8-7-9-11-22/h7-11,15-16,20-21,24,26-27,30H,12-14,17-19H2,1-6H3,(H,33,36)/t24-,26-,27-,30+/m1/s1

IUPAC

[(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat