Analyte Name

Sulfamonomethoxine-N1-glucosiduronic Acid

CAS Number

14365-51-6

Molecular Formula

C17 H20 N4 O9 S

Molecular Weight

456.427

Accurate Mass

456.095

SMILES

COc1cc(ncn1)N([C@@H]2O[C@@H]([C@@H](O)C(O)[C@H]2O)C(=O)O)S(=O)(=O)c3ccc(N)cc3

InChI

InChI=1S/C17H20N4O9S/c1-29-11-6-10(19-7-20-11)21(31(27,28)9-4-2-8(18)3-5-9)16-14(24)12(22)13(23)15(30-16)17(25)26/h2-7,12-16,22-24H,18H2,1H3,(H,25,26)/t12?,13-,14+,15-,16+/m0/s1

IUPAC

(2S,3S,5R,6R)-6-[(4-aminophenyl)sulfonyl-(6-methoxypyrimidin-4-yl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat