Aminophylline dihydrateProduct ingredient for Aminophylline
- Name
- Aminophylline dihydrate
- Drug Entry
- Aminophylline
Aminophylline is a drug combination that contains theophylline and ethylenediamine in a 2:1 ratio. Once in the body, theophylline is released and acts as a phosphodiesterase inhibitor, adenosine receptor blocker, and histone deacetylase activator. Similar to other theophyllines, aminophylline is indicated for the treatment of lung diseases such as asthma, chronic bronchitis, and COPD. The majority of aminophylline medications are discontinued and the remaining medications on the market are in short supply.
- Accession Number
- DBSALT001739
- Structure
- Synonyms
- Not Available
- UNII
- C229N9DX94
- CAS Number
- 5897-66-5
- Weight
- Average: 456.464
Monoisotopic: 456.219328662 - Chemical Formula
- C16H28N10O6
- InChI Key
- FXNJPZOEDHBGEY-UHFFFAOYSA-N
- InChI
- InChI=1S/2C7H8N4O2.C2H8N2.2H2O/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4;;/h2*3H,1-2H3,(H,8,9);1-4H2;2*1H2
- IUPAC Name
- bis(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione) ethane-1,2-diamine dihydrate
- SMILES
- O.O.NCCN.CN1C2=C(NC=N2)C(=O)N(C)C1=O.CN1C2=C(NC=N2)C(=O)N(C)C1=O
- External Links
- ChemSpider
- 20171282
- Wikipedia
- Aminophylline
- Predicted Properties
Property Value Source Water Solubility 22.9 mg/mL ALOGPS logP -0.26 ALOGPS logP -0.77 Chemaxon logS -0.9 ALOGPS pKa (Strongest Acidic) 7.82 Chemaxon pKa (Strongest Basic) -0.78 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 69.3 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 44.93 m3·mol-1 Chemaxon Polarizability 16.86 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon