Analyte Name

N-2-[(Dimethylamino)methylene]amino Pemetrexed

CAS Number

1265908-58-4

Molecular Formula

C23 H26 N6 O6

Molecular Weight

482.489

Accurate Mass

482.191

SMILES

CN(C)\C=N/C1=NC(=O)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c[nH]c2N1

InChI

InChI=1S/C23H26N6O6/c1-29(2)12-25-23-27-19-18(21(33)28-23)15(11-24-19)8-5-13-3-6-14(7-4-13)20(32)26-16(22(34)35)9-10-17(30)31/h3-4,6-7,11-12,16H,5,8-10H2,1-2H3,(H,26,32)(H,30,31)(H,34,35)(H2,24,27,28,33)/b25-12-/t16-/m0/s1

IUPAC

(2S)-2-[[4-[2-[2-[(Z)-dimethylaminomethylideneamino]-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 Type

Impurity

Product Format

Neat