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ethylbenzoprim

ethylbenzoprim structure

CAS No:
118344-72-2
Formula:
C21H24N6O2
Chemical Name:
ethylbenzoprim
Synonyms:
2,4-diamino-5-(4-(N-benzyl-N-ethylamino)-3-nitrophenyl)-6-ethylpyrimidine;ethylbenzoprim;CHEMBL309743;NSC382042;2,4-Pyrimidinediamine, 6-ethyl-5-(4-(ethyl(phenylmethyl)amino)-3-nitrophenyl)-;2,4-Pyrimidinediamine, 6-ethyl-5-[4-[ethyl(phenylmethyl)amino]-3-nitrophenyl]-;NSC 382042;SCHEMBL8593658;DTXSID30152102
Categories:
Organic Chemistry > Amides

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ethylbenzoprim Basic Attributes

Molecular Weight：

392.45426

Exact Mass：

392.196

NSC Number：

382042

DSSTox ID：

DTXSID30152102

Characteristics

PSA：

127

XLogP3：

3.6

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：

2,4-diamino-5-(4-(N-benzyl-N-ethylamino)-3-nitrophenyl)-6-ethylpyrimidine

Computed Properties

Molecular Weight:392.5
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:392.19607403
Monoisotopic Mass:392.19607403
Topological Polar Surface Area:127
Heavy Atom Count:29
Complexity:524
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes