Analyte Name

O-Desmethyl Mebeverine Acid Acyl-beta-D-Glucuronide Hexafluorophosphate (Mixture of Diastereomers)

Molecular Formula

C21H32F6NO9P

Molecular Weight

587.44

Accurate Mass

587.17

SMILES

OC(C=C1)=CC=C1CC(C)[N+](CC)([H])CCCC(O[C@@H]2O[C@H](C(O)=O)[C@@H](O)C(O)C2O)=O.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C21H31NO9.F6P/c1-3-22(12(2)11-13-6-8-14(23)9-7-13)10-4-5-15(24)30-21-18(27)16(25)17(26)19(31-21)20(28)29;1-7(2,3,4,5)6/h6-9,12,16-19,21,23,25-27H,3-5,10-11H2,1-2H3,(H,28,29);/q;-1/p+1/t12?,16?,17-,18?,19-,21+;/m0./s1

IUPAC

4-(((2S,5S,6S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-N-ethyl-N-(1-(4-hydroxyphenyl)propan-2-yl)-4-oxobutan-1-aminium hexafluorophosphate(V)

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat