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Edatrexate

Edatrexate structure

CAS No:
80576-83-6
Formula:
C22H25N7O5
Chemical Name:
Edatrexate
Synonyms:
L-Glutamic acid,N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]propyl]benzoyl]-;N-[4-[1-[(2,4-Diamino-6-pteridinyl)methyl]propyl]benzoyl]-L-glutamic acid;10-Ethyl-10-deazaaminopterin;Edatrexate;CGP 30694;10-EDAM WS;10-Edam;NSC 626715
Categories:
Dyes and Pigments > Pigment

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Edatrexate Basic Attributes

Molecular Weight：

467.48

Exact Mass：

467.48

NSC Number：

626715

Characteristics

PSA：

207

XLogP3：

2.92160

Density：

1.441 g/cm3

Refractive Index：

1.686

Drug Information

MeSH：

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)|Inhibitors of the enzyme, dihydrofolate reductase (TETRAHYDROFOLATE DEHYDROGENASE), which converts dihydrofolate (FH2) to tetrahydrofolate (FH4). They are frequently used in cancer chemotherapy. (From AMA, Drug Evaluations Annual, 1994, p2033) (See all compounds classified as Folic Acid Antagonists.)

MeSH Entry Terms：

10-EDAM

Edatrexate Use and Manufacturing

Antineoplastic.

Computed Properties

Molecular Weight:467.5
XLogP3:-0.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:10
Exact Mass:467.19171692
Monoisotopic Mass:467.19171692
Topological Polar Surface Area:207
Heavy Atom Count:34
Complexity:718
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes