Analyte Name

Laflunimus Sodium Salt-d4

Molecular Formula

C15 D4 H8 F3 N2 Na O2

Molecular Weight

336.278

Accurate Mass

336.1

SMILES

[2H]C1([2H])C(\C(=C(/C#N)\C(=O)Nc2ccc(c(C)c2)C(F)(F)F)\O[Na])C1([2H])[2H]

InChI

InChI=1S/C15H13F3N2O2.Na/c1-8-6-10(4-5-12(8)15(16,17)18)20-14(22)11(7-19)13(21)9-2-3-9;/h4-6,9,21H,2-3H2,1H3,(H,20,22);/q;+1/p-1/b13-11-;/i2D2,3D2;

IUPAC

[(Z)-2-cyano-3-[3-methyl-4-(trifluoromethyl)anilino]-3-oxo-1-(2,2,3,3-tetradeuteriocyclopropyl)prop-1-enoxy]sodium

Unlabelled CAS Number

147076-36-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat