Analyte Name

Fevipiprant Acyl Glucuronide-13CD3

Molecular Formula

13C C24 D3 H22 F3 N2 O10 S

Molecular Weight

606.545

Accurate Mass

606.14

SMILES

[2H][13C]([2H])([2H])c1c(CC(=O)OC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)c3cccnc3n1Cc4ccc(cc4C(F)(F)F)S(=O)(=O)C

InChI

InChI=1S/C25H25F3N2O10S/c1-11-15(9-17(31)39-24-20(34)18(32)19(33)21(40-24)23(35)36)14-4-3-7-29-22(14)30(11)10-12-5-6-13(41(2,37)38)8-16(12)25(26,27)28/h3-8,18-21,24,32-34H,9-10H2,1-2H3,(H,35,36)/t18-,19-,20+,21-,24?/m0/s1/i1+1D3

IUPAC

(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[2-[1-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methyl]-2-(trideuterio(113C)methyl)pyrrolo[2,3-b]pyridin-3-yl]acetyl]oxyoxane-2-carboxylic acid

SIL Type

Carbon, Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat