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15475-56-6

15475-56-6 structural image
Product Name: Methotrexate sodium
Formula: C20H21N8O5.Na
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COMPUTED DESCRIPTORS

Molecular Weight 476.4 g/mol
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 9
Exact Mass 476.15326008 g/mol
Monoisotopic Mass 476.15326008 g/mol
Topological Polar Surface Area 213 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 711
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Methotrexate Sodium is the sodium salt of methotrexate, an antimetabolite with antineoplastic and immunomodulating properties. Methotrexate binds to and inhibits the enzyme dihydrofolate reductase, resulting in inhibition of purine nucleotide and thymidylate synthesis and, subsequently, inhibition of DNA and RNA syntheses. Methotrexate also exhibits potent immunosuppressant properties. (NCI04)