dyphylline (CHEBI:4728)

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ChEBI Name	dyphylline

ChEBI ID	CHEBI:4728

Definition	An oxopurine that is theophylline bearing a 2,3-dihydroxypropyl group at the 7 position. It has broncho- and vasodilator properties, and is used in the treatment of asthma, cardiac dyspnea, and bronchitis. It is also an ingredient in preparations that have been promoted for coughs.

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

Secondary ChEBI IDs	CHEBI:681819

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Formula

C10H14N4O4

Net Charge

Average Mass

254.24260

Monoisotopic Mass

254.10150

InChI

InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3

InChIKey

KSCFJBIXMNOVSH-UHFFFAOYSA-N

SMILES

Cn1c2ncn(CC(O)CO)c2c(=O)n(C)c1=O

Roles Classification
Biological Role(s):	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a phosphoric diester hydrolase (EC 3.1.4.*).

Application(s):	bronchodilator agent An agent that causes an increase in the expansion of a bronchus or bronchial tubes. vasodilator agent A drug used to cause dilation of the blood vessels. muscle relaxant A drug used to produce muscle relaxation (excepting neuromuscular blocking agents). Its primary clinical and therapeutic use is the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. Also used for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in multiple sclerosis.

ChEBI Ontology
Outgoing	dyphylline (CHEBI:4728) has role bronchodilator agent (CHEBI:35523) dyphylline (CHEBI:4728) has role EC 3.1.4.* (phosphoric diester hydrolase) inhibitor (CHEBI:50218) dyphylline (CHEBI:4728) has role muscle relaxant (CHEBI:51371) dyphylline (CHEBI:4728) has role vasodilator agent (CHEBI:35620) dyphylline (CHEBI:4728) is a oxopurine (CHEBI:25810) dyphylline (CHEBI:4728) is a propane-1,2-diols (CHEBI:26284)

Incoming	(R)-dyphylline (CHEBI:59846) is a dyphylline (CHEBI:4728) (S)-dyphylline (CHEBI:59847) is a dyphylline (CHEBI:4728)

IUPAC Name

7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Synonyms	Sources
(±)-7-(2,3-dihydroxypropyl)theophylline	ChemIDplus
(±)-diprophylline	ChEBI
(±)-dyphylline	ChEBI
(1,2-dihydroxy-3-propyl)thiophyllin	ChemIDplus
1,3-dimethyl-7-(2,3-dihydroxypropyl)xanthine	ChemIDplus
7-(2,3-dihydroxypropyl)-1,3-dimethylxanthine	ChemIDplus
7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione	ChemIDplus
7-(2,3-dihydroxypropyl)theophylline	ChemIDplus
7-(β,γ-dihydroxypropyl)theophylline	ChemIDplus
Dihydroxypropyl theopylin	ChemIDplus
Diprophylline	ChEMBL
Diprophylline	KEGG COMPOUND
Dyphylline	KEGG COMPOUND

Last Modified

14 June 2017