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
ChemSpider
20171282
Wikipedia
Aminophylline
Predicted Properties
PropertyValueSource
Water Solubility22.9 mg/mLALOGPS
logP-0.26ALOGPS
logP-0.77Chemaxon
logS-0.9ALOGPS
pKa (Strongest Acidic)7.82Chemaxon
pKa (Strongest Basic)-0.78Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area69.3 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity44.93 m3·mol-1Chemaxon
Polarizability16.86 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon