Analyte Name

Sulfamonomethoxine-N1-glucosiduronic Acid-d4

Molecular Formula

C17 D4 H16 N4 O9 S

Molecular Weight

460.452

Accurate Mass

460.12

SMILES

[2H]c1c([2H])c(c([2H])c([2H])c1N)S(=O)(=O)N([C@@H]2O[C@@H]([C@@H](O)C(O)[C@H]2O)C(=O)O)c3cc(OC)ncn3

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/i2D,3D,4D,5D

IUPAC

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

Unlabelled CAS Number

14365-51-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat