Compound Summary
1-Allyl-3,7-dimethyl-8-sulfophenylxanthine
Compound Information
1-Allyl-3,7-dimethyl-8-sulfophenylxanthine
Compound Name: | 1-Allyl-3,7-dimethyl-8-sulfophenylxanthine |
Compound CID: | 1365 |
Synonyms: | 1-Allyl-3,7-dimethyl-8-sulfophenylxanthine 149981-25-9 1-Allyl-3,7-dimethyl-8-p-sulfophenylxanthine 4-(3,7-dimethyl-2,6-dioxo-1-prop-2-enylpurin-8-yl)benzenesulfonic acid CHEMBL88584 More... |
Iupac Name: | 4-(3,7-dimethyl-2,6-dioxo-1-prop-2-enylpurin-8-yl)benzenesulfonic acid |
InChI: | InChI=1S/C16H16N4O5S/c1-4-9-20-15(21)12-14(19(3)16(20)22)17-13(18(12)2)10-5-7-11(8-6-10)26(23,24)25/h4-8H,1,9H2,2-3H3,(H,23,24,25) |
InChIKey: | CDMZOKMMANFJMU-UHFFFAOYSA-N |
Canonical Smiles: | CN1C2=C(N=C1C3=CC=C(C=C3)S(=O)(=O)O)N(C(=O)N(C2=O)CC=C)C |
Isomeric Smiles: | CN1C2=C(N=C1C3=CC=C(C=C3)S(=O)(=O)O)N(C(=O)N(C2=O)CC=C)C |
Molecular Weight: | 376.4 |
Molecular Formula: | C16H16N4O5S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
1-Allyl-3,7-dimethyl-8-sulfophenylxanthine
Molecular Weight: | 376.4 |
Molecular Formula: | C16H16N4O5S |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 26 |
Complexity: | 698 |
Synonyms
1-Allyl-3,7-dimethyl-8-sulfophenylxanthine
| 1-Allyl-3,7-dimethyl-8-sulfophenylxanthine | 1-Allyl-3,7-dimethyl-8-sulfophenylxanthine |
|---|---|
1-Allyl-3,7-dimethyl-8-sulfophenylxanthine |
149981-25-9 |
1-Allyl-3,7-dimethyl-8-p-sulfophenylxanthine |
4-(3,7-dimethyl-2,6-dioxo-1-prop-2-enylpurin-8-yl)benzenesulfonic acid |
CHEMBL88584 |
1-Allyl-3,7-dimethyl-8-p-sulfophenylxanthine Sodium Salt |
NCGC00015008-01 |
Lopac-A-145 |
Lopac0_000087 |
MLS000860020 |
SCHEMBL1319913 |
DTXSID80274303 |
HMS2235D11 |
HMS3260A16 |
HMS3371E10 |
ZINC2572274 |
Tox21_500087 |
BDBM50045344 |
MFCD00083167 |
4-(5-NONYL)-PYRIDINEN-OXIDE |
AKOS015911418 |
CCG-204182 |
LP00087 |
SDCCGSBI-0050075.P002 |
NCGC00015008-02 |
NCGC00015008-03 |
NCGC00015008-04 |
NCGC00015008-05 |
NCGC00015008-06 |
NCGC00093591-01 |
NCGC00093591-02 |
NCGC00093591-03 |
NCGC00260772-01 |
BENZENESULFONIC ACID,4-2,3,6,7-TETRAHYDRO-3,7-DIMETHYL-2,6-DIOXO-1-(2-PROPEN-1-YL)-1H-PURIN-8-YL- |
SMR000326878 |
EU-0100087 |
FT-0607306 |
1-Allyl-3,7-dimethyl-8-(p-sulfophenyl)xanthine |
SR-01000075197 |
1-Allyl-3,7-dimethyl-8-sulfophenylxanthine, solid |
SR-01000075197-1 |
4-(1-Allyl-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid |
Experimental Data
1-Allyl-3,7-dimethyl-8-sulfophenylxanthine
| 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 | -2.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
1-Allyl-3,7-dimethyl-8-sulfophenylxanthine
Statistics Data
1-Allyl-3,7-dimethyl-8-sulfophenylxanthine
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -2.000000000000000 | 1 | 1 |
Statistics Data Visualization
1-Allyl-3,7-dimethyl-8-sulfophenylxanthine
