Analyte Name

Piretanide-d4 (Major)

CAS Number

1246816-90-9

Molecular Formula

C17H14D4N2O5S

Molecular Weight

366.42

Accurate Mass

366.1187

SMILES

[2H]C1([2H])CCC([2H])([2H])N1c2cc(cc(c2Oc3ccccc3)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23)/i8D2,9D2

IUPAC

4-phenoxy-3-sulfamoyl-5-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)benzoic acid

Alternate CAS Number

55837-27-9

Unlabelled CAS Number

55837-27-9

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat