Methotrexate Dimethyl Ester

Analyte Name

Methotrexate Dimethyl Ester

CAS Number

34378-65-9

Molecular Formula

C22 H26 N8 O5

Molecular Weight

482.49

Accurate Mass

482.2026

SMILES

COC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3n2)C(=O)OC

InChI

InChI=1S/C22H26N8O5/c1-30(11-13-10-25-19-17(26-13)18(23)28-22(24)29-19)14-6-4-12(5-7-14)20(32)27-15(21(33)35-3)8-9-16(31)34-2/h4-7,10,15H,8-9,11H2,1-3H3,(H,27,32)(H4,23,24,25,28,29)/t15-/m0/s1

IUPAC

dimethyl (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

Impurity Type

Intermediate

API Family

Methotrexate

Purity

>95% (HPLC)