Analyte Name

Deferiprone 3-O-beta-D-Glucuronide Ammonium Salt

Molecular Formula

C13H16NO8 • (H4N)

Molecular Weight

332.31

Accurate Mass

332.12

SMILES

O=C1C(O[C@@H]2O[C@H](C([O-])=O)[C@@H](O)[C@H](O)[C@H]2O)=C(C)N(C)C=C1.[NH4+]

InChI

InChI=1S/C13H17NO8.H3N/c1-5-10(6(15)3-4-14(5)2)21-13-9(18)7(16)8(17)11(22-13)12(19)20;/h3-4,7-9,11,13,16-18H,1-2H3,(H,19,20);1H3/t7-,8-,9+,11?,13+;/m0./s1

IUPAC

ammonium (2S,3S,4S,5R,6S)-6-((1,2-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate

Alternate CAS Number

141675-48-1

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat