Analyte Name

Alosetron N-beta-D-Glucuronide

CAS Number

863485-56-7

Molecular Formula

C23 H26 N4 O7

Molecular Weight

470.475

Accurate Mass

470.18

SMILES

Cc1ncn([C@@H]2O[C@@H]([C@@H](O)C(O)C2O)C(=O)O)c1CN3CCc4c(C3=O)c5ccccc5n4C

InChI

InChI=1S/C23H26N4O7/c1-11-15(27(10-24-11)22-19(30)17(28)18(29)20(34-22)23(32)33)9-26-8-7-14-16(21(26)31)12-5-3-4-6-13(12)25(14)2/h3-6,10,17-20,22,28-30H,7-9H2,1-2H3,(H,32,33)/t17?,18-,19?,20-,22+/m0/s1

IUPAC

(2S,3S,6R)-3,4,5-trihydroxy-6-[4-methyl-5-[(5-methyl-1-oxo-3,4-dihydropyrido[4,3-b]indol-2-yl)methyl]imidazol-1-yl]oxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat