Analyte Name

rel-Tetrabenazine Impurity 2

CAS Number

7744-45-8

Molecular Formula

C18 H25 N O4

Molecular Weight

319.395

Accurate Mass

319.178

SMILES

COc1cc2[C@H]3CC(=O)[C@H](CC(C)(C)O)CN3CCc2cc1O

InChI

InChI=1S/C18H25NO4/c1-18(2,22)9-12-10-19-5-4-11-6-16(21)17(23-3)7-13(11)14(19)8-15(12)20/h6-7,12,14,21-22H,4-5,8-10H2,1-3H3/t12-,14-/m1/s1

IUPAC

(3R,11bR)-9-hydroxy-3-(2-hydroxy-2-methylpropyl)-10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat