doxofylline (CHEBI:94714)

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ChEBI Name	doxofylline

ChEBI ID	CHEBI:94714

Definition	An 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.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C11H14N4O4

Net Charge

Average Mass

266.254

Monoisotopic Mass

266.10150

InChI

InChI=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

InChIKey

HWXIGFIVGWUZAO-UHFFFAOYSA-N

SMILES

N1(C(N(C2=C(C1=O)N(C=N2)CC3OCCO3)C)=O)C

Roles Classification
Application(s):	bronchodilator agent An agent that causes an increase in the expansion of a bronchus or bronchial tubes. 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. anti-asthmatic drug A drug used to treat asthma.

ChEBI Ontology
Outgoing	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

Registry Number	Type	Source
69975-86-6	CAS Registry Number	ChemIDplus

Last Modified

14 June 2017