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1,3,7-trimethyl-8-nitropurine-2,6-dione

1,3,7-trimethyl-8-nitropurine-2,6-dione structure

CAS No:
42297-40-5
Formula:
C8H9N5O4
Chemical Name:
1,3,7-trimethyl-8-nitropurine-2,6-dione
Synonyms:
8-nitrocaffeine;8-nitrocaffeine;42297-40-5;1,3,7-trimethyl-8-nitro-3,7-dihydro-1h-purine-2,6-dione;1,3,7-trimethyl-8-nitropurine-2,6-dione;NSC14100;SCHEMBL5316404;DTXSID80279772;NSC-14100;ZINC15863104;DS-000328;1,3,7-Trimethyl-8-nitro-purine-2,6-dione

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1,3,7-trimethyl-8-nitropurine-2,6-dione Basic Attributes

Molecular Weight：

239.19 g/mol

Exact Mass：

239.06545379 g/mol

NSC Number：

14100

DSSTox ID：

DTXSID80279772

Characteristics

PSA：

104 Å²

Drug Information

MeSH Entry Terms：

8-nitrocaffeine

Computed Properties

Molecular Weight:239.19
XLogP3:0.1
Hydrogen Bond Acceptor Count:5
Exact Mass:239.06545379
Monoisotopic Mass:239.06545379
Topological Polar Surface Area:104
Heavy Atom Count:17
Complexity:394
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3,7-trimethyl-8-nitropurine-2,6-dione

Basic Attributes
Characteristics
Drug Information
Computed Properties

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