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CHEBI:94714 - doxofylline

ChEBI IDCHEBI:94714
ChEBI Namedoxofylline
Stars
DefinitionAn oxopurine that is a derivative of xanthine, methylated at N-1 and N-3 and carrying a 1,3-dioxolan-2-ylmethyl group at N-7, used in the treatment of asthma.
Last Modified14 June 2017
DownloadsMolfile
FormulaC11H14N4O4
Net Charge0
Average Mass266.257
Monoisotopic Mass266.10150
SMILESCn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O
InChIInChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3
InChIKeyHWXIGFIVGWUZAO-UHFFFAOYSA-N
Wikipedia
Roles Classification
Applications:
bronchodilator agent  An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
anti-asthmatic drug  A drug used to treat asthma.
antitussive  An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration.
ChEBI Ontology
Outgoing Relation(s)
doxofylline (CHEBI:94714) has functional parent 7H-xanthine (CHEBI:48517)
doxofylline (CHEBI:94714) has role anti-asthmatic drug (CHEBI:49167)
doxofylline (CHEBI:94714) has role antitussive (CHEBI:51177)
doxofylline (CHEBI:94714) has role bronchodilator agent (CHEBI:35523)
doxofylline (CHEBI:94714) is a oxopurine (CHEBI:25810)
IUPAC Name 
7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
INNs  Source
doxofilinaChemIDplus
doxofyllineChemIDplus
doxofyllinumChemIDplus
Synonyms  Source
ansimarDrugCentral
dioxyfillineDrugCentral
Manual XrefsDatabases
959DrugCentral
D03898KEGG DRUG
DB09273DrugBank
DoxofyllineWikipedia
LSM-5779LINCS
Registry NumbersSources
CAS:69975-86-6ChemIDplus
Citations