EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:2659 - aminophylline

Default Structure
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:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
bronchodilator agent  An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
anti-asthmatic agent  Any compound that has anti-asthmatic effects.
cardiotonic drug  A drug that has a strengthening effect on the heart or that can increase cardiac output.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
renoprotective agent  Any compound that is able to prevent damage to the kidneys.
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
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 anti-asthmatic agent (CHEBI:65023)
aminophylline (CHEBI:2659) has role antihypertensive agent (CHEBI:35674)
aminophylline (CHEBI:2659) has role antineoplastic agent (CHEBI:35610)
aminophylline (CHEBI:2659) has role bronchodilator agent (CHEBI:35523)
aminophylline (CHEBI:2659) has role cardiotonic drug (CHEBI:38147)
aminophylline (CHEBI:2659) has role cardiovascular drug (CHEBI:35554)
aminophylline (CHEBI:2659) has role renoprotective agent (CHEBI:231911)
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
aminofilinaWHO MedNet
aminophyllineWHO MedNet
aminophyllineWHO MedNet
aminophyllinumWHO MedNet
Synonyms  Source
3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, compd with 1,2-ethanediamine (2:1)ChemIDplus
AminophyllineKEGG DRUG
BY 108ChemIDplus
ethylenediamine, compd. with theophylline (1:2)ChemIDplus
NSC-7919ChEMBL
TADChemIDplus
Brand Names  Source
AminocardolChemIDplus
AminodurChemIDplus
Aminodur dura-tabsChemIDplus
AminofillinaChemIDplus
AminophyllinChemIDplus
Aminophylline dye freeChEMBL
Manual XrefsDatabases
AminophyllineWikipedia
D00227KEGG DRUG
DB01223DrugBank
Registry NumbersSources
CAS:317-34-0ChemIDplus
CAS:317-34-0KEGG DRUG
Citations