Compound Summary
8-(p-Sulfophenyl)theophylline
Compound Information
8-(p-Sulfophenyl)theophylline
Compound Name: | 8-(p-Sulfophenyl)theophylline |
Compound CID: | 1908 |
Synonyms: | 8-(p-Sulfophenyl)theophylline 80206-91-3 8-(4-Sulfophenyl)theophylline 8-SPT 4-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)benzenesulfonic acid More... |
Iupac Name: | 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid |
InChI: | InChI=1S/C13H12N4O5S/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)7-3-5-8(6-4-7)23(20,21)22/h3-6H,1-2H3,(H,14,15)(H,20,21,22) |
InChIKey: | LXJSJIXZOAMHTG-UHFFFAOYSA-N |
Canonical Smiles: | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)O |
Isomeric Smiles: | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)O |
Molecular Weight: | 336.33 |
Molecular Formula: | C13H12N4O5S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
8-(p-Sulfophenyl)theophylline
Molecular Weight: | 336.33 |
Molecular Formula: | C13H12N4O5S |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 23 |
Complexity: | 610 |
Synonyms
8-(p-Sulfophenyl)theophylline
| 8-(p-Sulfophenyl)theophylline | 8-(p-Sulfophenyl)theophylline |
|---|---|
8-(p-Sulfophenyl)theophylline |
80206-91-3 |
8-(4-Sulfophenyl)theophylline |
8-SPT |
4-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)benzenesulfonic acid |
8-Pspt |
CHEMBL8488 |
4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid |
Psp-theophylline |
8-Sulphophenyltheophylline |
Lopac-A-013 |
Lopac0_000135 |
8-(P-Sulfophenyl)Thiophylline |
SCHEMBL1320226 |
8-(p-Sulfophenyl)-theophylline |
BDBM82023 |
DTXSID90230152 |
HMS3260K12 |
ALBB-009371 |
NSC_1908 |
ZINC5322904 |
Tox21_500135 |
MFCD00545717 |
PDSP1_000449 |
PDSP2_000447 |
STK505874 |
AKOS005172213 |
CCG-204230 |
LP00135 |
SDCCGSBI-0050123.P002 |
4-(2,3,6,7-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)benzenesulfonic acid |
Benzenesulfonic acid, 4-(2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)- |
NCGC00015000-01 |
NCGC00015000-02 |
NCGC00015000-03 |
NCGC00015000-04 |
NCGC00015000-05 |
NCGC00015000-08 |
NCGC00093625-01 |
NCGC00093625-02 |
NCGC00093625-03 |
NCGC00260820-01 |
CAS_80206-91-3 |
A-013 |
EU-0100135 |
SR-01000075188 |
SR-01000075188-1 |
4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid |
Experimental Data
8-(p-Sulfophenyl)theophylline
| 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 | -1.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
8-(p-Sulfophenyl)theophylline
Statistics Data
8-(p-Sulfophenyl)theophylline
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -1.000000000000000 | 1 | 1 |
Statistics Data Visualization
8-(p-Sulfophenyl)theophylline
