Analyte Name

Propylthiouracil N-beta-D-Glucuronide Methyl Ester

Molecular Formula

C14H20N2O7S

Molecular Weight

360.38

Accurate Mass

360.1

SMILES

O[C@H]1[C@H](O)[C@@H](O)[C@H](N2C(NC(C=C2CCC)=O)=S)O[C@@H]1C(OC)=O

InChI

InChI=1S/C14H20N2O7S/c1-3-4-6-5-7(17)15-14(24)16(6)12-10(20)8(18)9(19)11(23-12)13(21)22-2/h5,8-12,18-20H,3-4H2,1-2H3,(H,15,17,24)/t8-,9-,10+,11-,12+/m0/s1

IUPAC

methyl (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(4-oxo-6-propyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydro-2H-pyran-2-carboxylate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat