Analyte Name

Arfolitixorin Hemisulfate Salt

Molecular Formula

C20H23N7O6 . x(H2SO4)

Molecular Weight

555.5

SMILES

O=S(O)(O)=O.O=C(N[C@H](C(O)=O)CCC(O)=O)C(C=C1)=CC=C1N(C2)CN([C@]2([H])CN3)C4=C3NC(N)=NC4=O

InChI

InChI=1S/C20H23N7O6.H2O4S/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29;1-5(2,3)4/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31);(H2,1,2,3,4)/t12-,13+;/m1./s1

IUPAC

(2S)-2-[[4-[(6aR)-3-amino-1-oxo-2,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl]benzoyl]amino]pentanedioic acid;sulfuric acid

Country of Origin

CANADA

Product Format

Neat