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CHEBI:2659 - aminophylline

ChEBI IDCHEBI:2659
ChEBI Nameaminophylline
Stars
DefinitionA mixture comprising of theophylline and ethylenediamine in a 2:1 ratio.
Last Modified16 February 2024
DownloadsMolfile
FormulaC2H8N2.2C7H8N4O2
Net Charge0
Average Mass420.434
Monoisotopic Mass420.19820
SMILESCn1c(=O)c2ncnc2n(C)c1=O.Cn1c(=O)c2ncnc2n(C)c1=O.NCCN
InChIInChI=1S/2C7H8N4O2.C2H8N2/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
InChIKeyFQPFAHBPWDRTLU-UHFFFAOYSA-N
Wikipedia
Roles Classification
Applications:
cardiotonic drug  A drug that has a strengthening effect on the heart or that can increase cardiac output.
bronchodilator agent  An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
ChEBI Ontology
Outgoing Relation(s)
aminophylline (CHEBI:2659) has part ethylenediamine (CHEBI:30347)
aminophylline (CHEBI:2659) has part theophylline (CHEBI:28177)
aminophylline (CHEBI:2659) has role bronchodilator agent (CHEBI:35523)
aminophylline (CHEBI:2659) has role cardiotonic drug (CHEBI:38147)
aminophylline (CHEBI:2659) is a mixture (CHEBI:60004)
IUPAC Name 
1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione - ethane-1,2-diamine (2:1)
INNs  Source
aminophyllinumWHO MedNet
aminophyllineWHO MedNet
aminofilinaWHO MedNet
aminophyllineWHO MedNet
Synonyms  Source
AminophyllineKEGG DRUG
theophyline ethylenediamineChemIDplus
ethylenediamine, compd. with theophylline (1:2)ChemIDplus
3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, compd with 1,2-ethanediamine (2:1)ChemIDplus
BY 108ChemIDplus
TADChemIDplus
Brand Names  Source
SomophyllinKEGG DRUG
Theophylline ethylenediamineKEGG DRUG
Theophyllin aethylendiaminChemIDplus
CardophylinChemIDplus
AminodurChemIDplus
CardiofilinaChemIDplus
Manual XrefsDatabases
D00227KEGG DRUG
DB01223DrugBank
AminophyllineWikipedia
Registry NumbersSources
CAS:317-34-0KEGG DRUG
CAS:317-34-0ChemIDplus
Citations