Compound Summary
8-Phenyltheophylline
Compound Information
8-Phenyltheophylline
Compound Name: | 8-Phenyltheophylline |
Compound CID: | 1922 |
Synonyms: | 8-Phenyltheophylline 1,3-Dimethyl-8-phenylxanthine 961-45-5 1,3-dimethyl-8-phenyl-7H-purine-2,6-dione UNII-E6M543P3BL More... |
Iupac Name: | 1,3-dimethyl-8-phenyl-7H-purine-2,6-dione |
InChI: | InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15) |
InChIKey: | PJFMAVHETLRJHJ-UHFFFAOYSA-N |
Canonical Smiles: | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=CC=C3 |
Isomeric Smiles: | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=CC=C3 |
Molecular Weight: | 256.26 |
Molecular Formula: | C13H12N4O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
8-Phenyltheophylline
Molecular Weight: | 256.26 |
Molecular Formula: | C13H12N4O2 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 1 |
Heavy Atom Count: | 19 |
Complexity: | 394 |
Synonyms
8-Phenyltheophylline
| 8-Phenyltheophylline | 8-Phenyltheophylline |
|---|---|
8-Phenyltheophylline |
1,3-Dimethyl-8-phenylxanthine |
961-45-5 |
1,3-dimethyl-8-phenyl-7H-purine-2,6-dione |
UNII-E6M543P3BL |
CHEMBL62350 |
E6M543P3BL |
MFCD00005582 |
1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione |
1,3-dimethyl-8-phenyl-3,9-dihydro-1h-purine-2,6-dione |
Theophylline, 8-phenyl- |
NSC 14127 |
Lopac-P-2278 |
Lopac0_000917 |
Oprea1_390706 |
MLS000069624 |
SCHEMBL516432 |
1,3-dimethyl-8-phenyl-1H-purine-2,6(3H,7H)-dione |
8-Phenyl-1,3-dimethylxanthine |
8-PT |
BDBM82015 |
DTXSID90242119 |
HMS3262H16 |
CAS_1922 |
NSC_1922 |
NSC14127 |
ZINC6530699 |
Tox21_500917 |
1H-Purine-2,6-dione, 2,3,6,7-tetrahydro-1,3-dimethyl-8-phenyl- |
BBL023763 |
MFCD00430254 |
NSC-14127 |
PDSP1_000322 |
PDSP1_000327 |
PDSP2_000320 |
PDSP2_000325 |
STL293634 |
AKOS015905559 |
CCG-204999 |
LP00917 |
MCULE-1759707029 |
SDCCGSBI-0050892.P002 |
NCGC00015807-01 |
NCGC00015807-02 |
NCGC00015807-03 |
NCGC00015807-04 |
NCGC00015807-06 |
NCGC00094228-01 |
NCGC00094228-02 |
NCGC00261602-01 |
SMR000058251 |
ST057362 |
1,3-Dimethyl-8-phenylxanthine crystalline |
AB0126888 |
DB-057624 |
EU-0100917 |
FT-0633195 |
VU0254233-3 |
P 2278 |
SR-01000076062 |
1,3-DIMETHYL-8-PHENYLXANTHINE, CRYSTALLINE |
Q4644289 |
SR-01000076062-1 |
1,3-Dimethyl-8-phenyl-3,7-dihydro-purine-2,6-dione |
1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione |
1,3-dimethyl-8-phenyl-1,3,7-trihydropurine-2,6-dione |
3,7-dihydro-1,3-dimethyl-8-phenyl-1H-purine-2,6-dione |
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-phenyl- (9CI) |
Experimental Data
8-Phenyltheophylline
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -4.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
8-Phenyltheophylline
Statistics Data
8-Phenyltheophylline
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -4.000000000000000 | 1 | 1 |
Statistics Data Visualization
8-Phenyltheophylline
