Analyte Name

Indacaterol 8-O-Glucuronide

CAS Number

1446354-20-6

Molecular Formula

C30 H36 N2 O9

Molecular Weight

568.615

Accurate Mass

568.242

SMILES

CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c3ccc(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)c5NC(=O)C=Cc35

InChI

InChI=1S/C30H36N2O9/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)31-13-21(33)19-5-7-22(24-20(19)6-8-23(34)32-24)40-30-27(37)25(35)26(36)28(41-30)29(38)39/h5-10,18,21,25-28,30-31,33,35-37H,3-4,11-13H2,1-2H3,(H,32,34)(H,38,39)/t21-,25-,26-,27+,28-,30+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[[5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-2-oxo-1H-quinolin-8-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat