7-Cyanomethotrexate dimethyl ester

CAS

112163-39-0

Catalog Number

ACM112163390

Category

Other Products

Molecular Weight

507.50

Molecular Formula

C₂₃H₂₅N₉O₅

MSDS COA Spec Sheet

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Specification

Synonyms

N-[4-[[(2,4-Diamino-7-cyano-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic Acid Dimethyl Ester;

IUPAC Name

dimethyl (2S)-2-[[4-[(2,4-diamino-7-cyanopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate

Canonical SMILES

CN(CC1=C(N=C2C(=N1)C(=NC(=N2)N)N)C#N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)OC)C(=O)OC

InChI Key

IELAPFQSSXNBBQ-AWEZNQCLSA-N

Density

1.45g/cm³

Appearance

Red-Orange Solid

Exact Mass

507.19800

H-Bond Acceptor

H-Bond Donor

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