Folitixorin (~80%)(Mixture of Diastereomers)

Analyte Name

Folitixorin (mixture of diastereomers)

CAS Number

3432-99-3

Molecular Formula

C20 H23 N7 O6

Molecular Weight

457.44

Accurate Mass

457.171

SMILES

NC1=NC(=O)C2=C(NCC3CN(CN23)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N1

InChI

InChI=1S/C20H23N7O6/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/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12?,13-/m0/s1

IUPAC

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

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Folic Acid; Folinic Acid