Analyte Name

Sulfadoxine N4-beta-D-glucuronide Ammonium Salt

Molecular Formula

C18H21N4O10S • x(H4N)

Molecular Weight

503.5

SMILES

O=S(C1=CC=C(C=C1)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C([O-])=O)O)O)O)(NC3=C(C(OC)=NC=N3)OC)=O.[NH4+]

InChI

InChI=1S/C18H22N4O10S.H3N/c1-30-14-15(19-7-20-17(14)31-2)22-33(28,29)9-5-3-8(4-6-9)21-16-12(25)10(23)11(24)13(32-16)18(26)27;/h3-7,10-13,16,21,23-25H,1-2H3,(H,26,27)(H,19,20,22);1H3/t10-,11-,12+,13-,16+;/m0./s1

IUPAC

ammonium (2S,3S,4S,5R,6R)-6-((4-(N-(5,6-dimethoxypyrimidin-4-yl)sulfamoyl)phenyl)amino)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate

Alternate CAS Number

98474-18-1 (free acid)

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat