Analyte Name

rac-Rasagiline-13C3 N-Carbamoyl beta-D-Glucuronide

Molecular Formula

C16¹³C3H21NO8

Molecular Weight

394.35

Accurate Mass

394.14

SMILES

O=C(O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)O)N([13CH2][13C]#[13CH])C2C3=C(CC2)C=CC=C3

InChI

InChI=1S/C19H21NO8/c1-2-9-20(12-8-7-10-5-3-4-6-11(10)12)19(26)28-18-15(23)13(21)14(22)16(27-18)17(24)25/h1,3-6,12-16,18,21-23H,7-9H2,(H,24,25)/t12?,13-,14-,15+,16-,18-/m0/s1/i1+1,2+1,9+1

IUPAC

(2S,3S,4S,5R,6S)-6-(((2,3-dihydro-1H-inden-1-yl)(prop-2-yn-1-yl-13C3)carbamoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat