Analyte Name

Sulfamidine N1-Glucuronide-d4

Molecular Formula

C18 D4 H18 N4 O8 S

Molecular Weight

458.479

Accurate Mass

458.141

SMILES

[2H]c1c([2H])c(c([2H])c([2H])c1N)S(=O)(=O)N([C@@H]2O[C@@H]([C@@H](O)[C@H](O)C2O)C(=O)O)c3nc(C)cc(C)n3

InChI

InChI=1S/C18H22N4O8S/c1-8-7-9(2)21-18(20-8)22(31(28,29)11-5-3-10(19)4-6-11)16-14(25)12(23)13(24)15(30-16)17(26)27/h3-7,12-16,23-25H,19H2,1-2H3,(H,26,27)/t12-,13-,14?,15-,16+/m0/s1/i3D,4D,5D,6D

IUPAC

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

Unlabelled CAS Number

52351-41-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat