Pemetrexed-d5 Diethyl Ester

Analyte Name

Pemetrexed-d5 Diethyl Ester

Molecular Formula

C24 D5 H24 N5 O6

Molecular Weight

488.548

Accurate Mass

488.243

SMILES

[2H]C([2H])(C(=O)OCC)C([2H])([2H])[C@]([2H])(NC(=O)c1ccc(CCc2c[nH]c3NC(=NC(=O)c23)N)cc1)C(=O)OCC

InChI

InChI=1S/C24H29N5O6/c1-3-34-18(30)12-11-17(23(33)35-4-2)27-21(31)15-8-5-14(6-9-15)7-10-16-13-26-20-19(16)22(32)29-24(25)28-20/h5-6,8-9,13,17H,3-4,7,10-12H2,1-2H3,(H,27,31)(H4,25,26,28,29,32)/t17-/m0/s1/i11D2,12D2,17D

IUPAC

diethyl (2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-2,3,3,4,4-pentadeuteriopentanedioate

Unlabelled CAS Number

146943-43-3

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat