Analyte Name

O-Desmethyl Mebeverine Acid O-beta-D-Glucuronide Ammonium Salt

Molecular Formula

C21H31NO9 xNH3

Molecular Weight

441.47

SMILES

O[C@@H]([C@H](O)[C@H]1O)[C@@H](C(O)=O)O[C@H]1OC2=CC=C(CC(C)N(CC)CCCC(O)=O)C=C2.[NH3]

InChI

InChI=1S/C21H31NO9.H3N/c1-3-22(10-4-5-15(23)24)12(2)11-13-6-8-14(9-7-13)30-21-18(27)16(25)17(26)19(31-21)20(28)29;/h6-9,12,16-19,21,25-27H,3-5,10-11H2,1-2H3,(H,23,24)(H,28,29);1H3/t12?,16-,17-,18+,19-,21+;/m0./s1

IUPAC

(2S,3S,4S,5R,6S)-6-(4-(2-((3-carboxypropyl)(ethyl)amino)propyl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid, ammonia salt

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat