479-18-5
Product Name:
Diprophylline
Formula:
C10H14N4O4
Synonyms:
Dyphylline;Diprophylline;7-(2,3-Dihydroxypropyl)theophylline;9-(1,3-Benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-naphtho[2,3-c]furan-1(3H)-one;7-(2,3-Dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | CRYSTALS FROM ALCOHOL |
| Taste | EXTREME BITTER TASTE |
| Melting Point | 155-157 |
| Solubility | >38.1 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | -1.9 |
| LogS | -0.17 |
| Stability/Shelf Life | IS STABLE IN GASTRIC JUICE |
| pH | (1% AQ SOLN) 6.6 TO 7.3 |
| Collision Cross Section | 152.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 2237 2266 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
COMPUTED DESCRIPTORS
| Molecular Weight | 254.24 g/mol |
|---|---|
| XLogP3 | -1.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 254.10150494 g/mol |
| Monoisotopic Mass | 254.10150494 g/mol |
| Topological Polar Surface Area | 98.9 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 364 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Dyphylline is an oxopurine that is theophylline bearing a 2,3-dihydroxypropyl group at the 7 position. It has broncho- and vasodilator properties, and is used in the treatment of asthma, cardiac dyspnea, and bronchitis. It is also an ingredient in preparations that have been promoted for coughs. It has a role as a bronchodilator agent, a vasodilator agent, an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor and a muscle relaxant. It is an oxopurine and a member of propane-1,2-diols.