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7-Hydroxymethotrexate

7-Hydroxymethotrexate structure

CAS No:
5939-37-7
Formula:
C20H22N8O6
Chemical Name:
7-Hydroxymethotrexate
Synonyms:
L-Glutamic acid,N-[4-[[(2,4-diamino-7,8-dihydro-7-oxo-6-pteridinyl)methyl]methylamino]benzoyl]-;Glutamic acid,N-[p-[[(2,4-diamino-7-hydroxy-6-pteridinyl)methyl]methylamino]benzoyl]-,L-(+)-;L-Glutamic acid,N-[4-[[(2,4-diamino-1,7-dihydro-7-oxo-6-pteridinyl)methyl]methylamino]benzoyl]-;Glutamic acid,N-[p-[[(2,4-diamino-7-hydroxy-6-pteridinyl)methyl]methylamino]benzoyl]-;N-[4-[[(2,4-Diamino-7,8-dihydro-7-oxo-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid;7-Hydroxymethotrexate;NSC 380962
Categories:
Dyes and Pigments > Pigment

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Description

7-Hydroxymethotrexate is a member of folic acids.

7-Hydroxymethotrexate Basic Attributes

Molecular Weight：

470.43900

Exact Mass：

470.44

NSC Number：

380962

Characteristics

PSA：

230.77000

XLogP3：

1.52730

Density：

1.68g/cm3

Melting Point：

230ºC dec.

Refractive Index：

1.76

Storage Conditions：

-20ºC

Drug Information

MeSH：

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：

7-hydroxymethotrexate

Computed Properties

Molecular Weight:470.4
XLogP3:-0.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:470.16623045
Monoisotopic Mass:470.16623045
Topological Polar Surface Area:226
Heavy Atom Count:34
Complexity:830
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes