Analyte Name

Tyropanoic Acid-d5

Molecular Formula

C15 D5 H13 I3 N O3

Molecular Weight

646.053

Accurate Mass

645.873

SMILES

[2H]C([2H])([2H])C([2H])([2H])CC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)O)c1I

InChI

InChI=1S/C15H18I3NO3/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22)/i1D3,3D2

IUPAC

2-[[2,4,6-triiodo-3-(3,3,4,4,4-pentadeuteriobutanoylamino)phenyl]methyl]butanoic acid

Unlabelled CAS Number

27293-82-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat