Analyte Name

Propafenone beta-D-Glucuronide

CAS Number

91411-76-6

Molecular Formula

C27 H35 N O9

Molecular Weight

517.568

Accurate Mass

517.231

SMILES

CCCNCC(COc1ccccc1C(=O)CCc2ccccc2)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O

InChI

InChI=1S/C27H35NO9/c1-2-14-28-15-18(36-27-24(32)22(30)23(31)25(37-27)26(33)34)16-35-21-11-7-6-10-19(21)20(29)13-12-17-8-4-3-5-9-17/h3-11,18,22-25,27-28,30-32H,2,12-16H2,1H3,(H,33,34)/t18?,22-,23-,24+,25-,27+/m0/s1

IUPAC

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-[2-(3-phenylpropanoyl)phenoxy]-3-(propylamino)propan-2-yl]oxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat