7-Cyanomethotrexate Dimethyl Ester
Product Code
TRC-C981820
CAS Number
Product Format
Neat
Molecular Formula
C23 H25 N9 O5
Molecular Weight
507.50
Product Categories
Product Information
Chemical Data
Analyte Name
7-Cyanomethotrexate Dimethyl Ester
CAS Number
112163-39-0
Molecular Formula
C23 H25 N9 O5
Molecular Weight
507.50
Accurate Mass
507.1979
SMILES
COC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(C)Cc2nc3c(N)nc(N)nc3nc2C#N)C(=O)OC
InChI
InChI=1S/C23H25N9O5/c1-32(11-16-15(10-24)28-20-18(27-16)19(25)30-23(26)31-20)13-6-4-12(5-7-13)21(34)29-14(22(35)37-3)8-9-17(33)36-2/h4-7,14H,8-9,11H2,1-3H3,(H,29,34)(H4,25,26,28,30,31)/t14-/m0/s1
IUPAC
dimethyl (2S)-2-[[4-[(2,4-diamino-7-cyanopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
Product Description
An intermediate in the production of Methotrexate metabolites
References: Dawson, M., et al.: J. Pharm. Sci., 76, 635 (1987),
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