In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 17 | Yes |
Popular Name: PROXYPHYLLINE PROXYPHYLLINE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 6003-00-9 , 603-00-9 , [603-00-9]
603-00-9; D01771; Monophyllin (TN); Proxyphylline (JAN/INN)
7-(2-Hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
7-(2-Hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
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) | -0.21 | 3.25 | -10.16 | 1 | 7 | 0 | 82 | 238.247 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0162644A2; EP0162644B2; EP0225403A1; EP0249284A1; EP0249284B1; EP0360498B1; EP0375342B1; EP0390612A1; EP0408625B1; EP0874551A1; EP0932679A1; EP0948520A1; EP0950709A1; EP1029570A2; EP1029571A2; US3986852; US4080971; US4136474; US4474816; US4500342; US458 | IBM Patent Data |
Therapy | PDE inhibitor, bronchodilator, vasodilator | SMDC Pharmakon |