| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 16 | Yes |
Popular Name: Etofylline Etofylline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 519-37-9 , [519-37-9]
519-37-9; D07933; Etofylline (INN); Oxyphyllin (TN)
519-37-9; Etofylline; Prestwick_210
7-(2-Hydroxy-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
7-(2-Hydroxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
7-(2-hydroxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7-(2-Hydroxyethyl)theophylline
7-(beta-Hydroxyethyl)theophylline
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.57 | 2.46 | -12.33 | 1 | 7 | 0 | 82 | 224.22 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | . | ZereneX Building Blocks |
| MP | 163 - 165 | Enamine Building Blocks |
| MP | 163...165 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| biological_use | Cardiant | IBScreen Bioactives |
| mechanism | CNS-stimulant | IBScreen Bioactives |
| biological_use | Diuretic | IBScreen Bioactives IBScreen Bioactives |
| therap | PDE inhibitor, bronchodilator, vasodilator | MicroSource Spectrum |
| mechanism | Phosphodiesterase inhibitor | IBScreen Bioactives IBScreen Bioactives |
| mechanism | Prostaglandin antagonist | IBScreen Bioactives |
| mechanism | Purine antagonist | IBScreen Bioactives |
| biological_use | Vasodilator | IBScreen Bioactives |
