Analyte Name

[5-chloro-2-[(2-[2-oxo-2-[2,3,4,6-tetradeuterio-5-(3-furyl)anilino]ethoxy]acetyl)amino]benzoyl]oxysodium

Molecular Formula

C21 H12 Cl D4 N2 Na O6

Molecular Weight

454.82896

Accurate Mass

454.0846

SMILES

O=C(C1=CC(Cl)=CC=C1NC(COCC(NC2=C([2H])C(C3=COC=C3)=C([2H])C([2H])=C2[2H])=O)=O)O[Na]

InChI

InChI=1S/C21H17ClN2O6.Na/c22-15-4-5-18(17(9-15)21(27)28)24-20(26)12-30-11-19(25)23-16-3-1-2-13(8-16)14-6-7-29-10-14;/h1-10H,11-12H2,(H,23,25)(H,24,26)(H,27,28);/q;+1/p-1/i1D,2D,3D,8D;

IUPAC

[5-chloro-2-[[2-[2-oxo-2-[2,3,4,6-tetradeuterio-5-(3-furyl)anilino]ethoxy]acetyl]amino]benzoyl]oxysodium

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Neat