Analyte Name

(R)-Pemetrexed

CAS Number

182009-04-7

Molecular Formula

C20 H21 N5 O6

Molecular Weight

427.411

Accurate Mass

427.149

SMILES

NC1=NC(=O)c2c(CCc3ccc(cc3)C(=O)N[C@H](CCC(=O)O)C(=O)O)c[nH]c2N1

InChI

InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m1/s1

IUPAC

(2R)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat