MetaADEDB 2.0 @ LMMD
8-phenyltheophylline
(PJFMAVHETLRJHJ-UHFFFAOYSA-N)
Structure
SMILES
Cn1c2nc([nH]c2c(=O)n(c1=O)C)c1ccccc1
Molecular Formula:
C13H12N4O2
Molecular Weight:
256.260
Log P:
0.6273
Hydrogen Bond Acceptor:
5
Hydrogen Bond Donor:
1
TPSA:
72.68
CAS Number(s):
961-45-5
Synonym(s)
1.
8-phenyltheophylline
External Link(s)
MeSHC028322
PubChem Compound1922
BindingDB82015
CHEMBLCHEMBL62350
Therapeutic Target DatabaseD0V8MD
ZINC6530699
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Catalepsy9407998CTD
2Hyperemia7641332CTD
3Hypotension1592228CTD
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