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Methotrexate

Methotrexate structure

CAS No:
91431-42-4
Formula:
C16H15ClO6
Chemical Name:
Methotrexate
Synonyms:
RS-43197;RS 43179;Lonapalene;6-Chloro-2,3-dimethoxy-1,4-naphthalenediol diacetate
Categories:
Chemical Reagents > Organic Reagents

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Description

RS4317 is a topically effective 5-lipoxygenase (5-LO) inhibitor.

Lonapalene is an organochlorine compound and a member of naphthalenes.

Methotrexate Basic Attributes

Molecular Weight：

338.74000

Exact Mass：

338.05600

UNII：

WIF31Q54NJ

DSSTox ID：

DTXSID00238563

Characteristics

PSA：

71.06000

XLogP3：

3.36100

Density：

1.309g/cm3

Melting Point：

93-94° (Jones); mp 87.5-89.5° (Perri, Moore)

Boiling Point：

424.9ºC at 760mmHg

Flash Point：

159.3ºC

Refractive Index：

1.571

Drug Information

MeSH Entry Terms：

6-chloro-2,3-dimethoxynaphthalene-1,4-diol diacetate

Methotrexate Use and Manufacturing

Antipsoriatic.

Computed Properties

Molecular Weight:338.74
XLogP3:3.2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:338.0557159
Monoisotopic Mass:338.0557159
Topological Polar Surface Area:71.1
Heavy Atom Count:23
Complexity:442
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes