Analyte Name

Bazedoxifene 4'-beta-D-Glucuronide

CAS Number

328933-64-8

Molecular Formula

C36 H42 N2 O9

Molecular Weight

646.727

Accurate Mass

646.289

SMILES

Cc1c(c2ccc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)cc2)n(Cc4ccc(OCCN5CCCCCC5)cc4)c6ccc(O)cc16

InChI

InChI=1S/C36H42N2O9/c1-22-28-20-25(39)10-15-29(28)38(21-23-6-11-26(12-7-23)45-19-18-37-16-4-2-3-5-17-37)30(22)24-8-13-27(14-9-24)46-36-33(42)31(40)32(41)34(47-36)35(43)44/h6-15,20,31-34,36,39-42H,2-5,16-19,21H2,1H3,(H,43,44)/t31-,32-,33+,34-,36+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[4-[1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-hydroxy-3-methylindol-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat