Analyte Name

Vilanterol Phenol-glucuronide

Molecular Formula

C30H41Cl2NO11

Molecular Weight

662.55

Accurate Mass

661.2057

SMILES

OCc1cc(ccc1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)[C@@H](O)CNCCCCCCOCCOCc3c(Cl)cccc3Cl

InChI

InChI=1S/C30H41Cl2NO11/c31-21-6-5-7-22(32)20(21)17-42-13-12-41-11-4-2-1-3-10-33-15-23(35)18-8-9-24(19(14-18)16-34)43-30-27(38)25(36)26(37)28(44-30)29(39)40/h5-9,14,23,25-28,30,33-38H,1-4,10-13,15-17H2,(H,39,40)/t23-,25-,26-,27+,28-,30+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[4-[(1R)-2-[6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]hexylamino]-1-hydroxy-ethyl]-2-(hydroxymethyl)phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

Country of Origin

CANADA

Product Format

Neat