Analyte Name

N-Desmethyl-N-ethyl-Vonoprazan fumarate salt

Molecular Formula

C22H22FN3O6S

Molecular Weight

475.49

Accurate Mass

475.12

SMILES

O=C(/C=C/C(O)=O)O.O=S(N1C=C(CNCC)C=C1C2=CC=CC=C2F)(C3=CC=CN=C3)=O

InChI

InChI=1S/C18H18FN3O2S.C4H4O4/c1-2-20-11-14-10-18(16-7-3-4-8-17(16)19)22(13-14)25(23,24)15-6-5-9-21-12-15;5-3(6)1-2-4(7)8/h3-10,12-13,20H,2,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

IUPAC

N-((5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)methyl)ethanamine fumarate

Country of Origin

CANADA

Product Format

Neat