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7413-34-5

7413-34-5 structural image
Product Name: Methotrexate disodium salt
Formula: C20H23N8NaO5
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P321:Specific treatment (see … on this label).
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 498.4 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 7
Exact Mass 498.13520433 g/mol
Monoisotopic Mass 498.13520433 g/mol
Topological Polar Surface Area 216 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 693
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 3
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Methotrexate disodium is an organic sodium salt that is the disodium salt of methotrexate. It has a role as an EC 1.5.1.3 (dihydrofolate reductase) inhibitor. It contains a methotrexate(2-).