| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 18 | Yes |
Popular Name: Dyphylline Dyphylline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 479-18-5 , [479-18-5]
(+-)-7-(2,3-Dihydroxypropyl)theophylline
(1,2-Dihydroxy-3-propyl)thiophyllin
1,3-Dimethyl-7-(2,3-dihydroxypropyl)xanthine
1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl
1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-
1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-, (+-)-
479-18-5; C07819; Diprophylline; Dyphylline
479-18-5; D00691; Diprophylline (JAN/INN); Dyphylline (USP); Lufyllin (TN)
479-18-5; Diprophylline; Prestwick_465
5-26-14-00070 (Beilstein Handbook Reference)
7-(.beta.,.gamma.-Dihydroxypropyl)theophylline
7-(2,3-Dihydroxypropyl) theophylline
7-(2,3-Dihydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
7-(2,3-dihydroxypropyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
7-(2,3-Dihydroxypropyl)-1,3-dimethylxanthine
7-(2,3-Dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
7-(2,3-Dihydroxypropyl)theophylline
7-(2,3-Dihydroxypropyl)theophylline, 99%
7-(2,3-Dioxypropyl)theophylline
7-(beta,gamma-Dihydroxypropyl)theophylline
7-[2,3-Dihydroxypropyl]-theophylline
Dihydroxypropyl theopylin (german)
diprofilina; diprophylline; diprophyllinum
InChI=1/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3
Neothylline, Lufyllin, diprophylline
Neothylline, Lufyllin, diprophylline,Dyphylline
| 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) | -1.21 | 1.4 | -15.29 | 2 | 8 | 0 | 102 | 254.246 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 0.325 | Bitter DB |
| ALOGPS_SOLUBILITY | 1.43e+01 g/l | DrugBank-approved |
| Mp [°C] | 160 - 165 | Acros Organics |
| MP | 163 | TCI |
| Purity | 97% | APIChem |
| Therapy | bronchodilator | SMDC Iconix |
| PUBCHEM_PATENT_ID | EP0032307A2; EP0046638A2; EP0098041A2; EP0153582A2; EP0158163A1; EP0200351A2; EP0200351B2; EP0213083A2; EP0214842A2; EP0214842B1; EP0219553A1; EP0219553B1; EP0220670A2; EP0220670B1; EP0227836A1; EP0227836B1; EP0250374A1; EP0250374B1; EP0250600B1; EP025060 | IBM Patent Data |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| Target | PDE | Selleck Chemicals |
| therap | PDE inhibitor, bronchodilator, vasodilator | MicroSource Spectrum |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
