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The Drug Ontology
| Preferred Name | dyphylline | |
| Synonyms |
7-(2,3-dihydroxypropyl)theophylline (+-)-dyphylline (1,2-dihydroxy-3-propyl)thiophyllin Dihydroxypropyl theopylin 7-(2,3-dihydroxypropyl)-1,3-dimethylxanthine diprofilina (+-)-7-(2,3-dihydroxypropyl)theophylline diprophylline Diprophylline 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione 7-(beta,gamma-dihydroxypropyl)theophylline 1,3-dimethyl-7-(2,3-dihydroxypropyl)xanthine diprophyllinum (+-)-diprophylline 7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione Dyphylline |
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| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_4728 |
|
| alternative label |
7-(2,3-dihydroxypropyl)theophylline (+-)-dyphylline (1,2-dihydroxy-3-propyl)thiophyllin Dihydroxypropyl theopylin 7-(2,3-dihydroxypropyl)-1,3-dimethylxanthine diprofilina (+-)-7-(2,3-dihydroxypropyl)theophylline diprophylline Diprophylline 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione 7-(beta,gamma-dihydroxypropyl)theophylline 1,3-dimethyl-7-(2,3-dihydroxypropyl)xanthine diprophyllinum (+-)-diprophylline 7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione Dyphylline
|
|
| charge |
0
|
|
| database_cross_reference |
Wikipedia:Dyphylline KEGG:C07819 DrugBank:DB00651 PMID:3361424 Drug_Central:976 PMID:2886621 Patent:US2575344 HMDB:HMDB0014789 Reaxys:284563 KNApSAcK:C00030143 CAS:479-18-5 LINCS:LSM-4299 PMID:28166217 KEGG:D00691
|
|
| 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.
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|
| formula |
C10H14N4O4
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|
| has characteristic |
http://purl.obolibrary.org/obo/DRON_00000068 http://purl.obolibrary.org/obo/CHEBI_51371 http://purl.obolibrary.org/obo/CHEBI_35620 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_51371 http://purl.obolibrary.org/obo/CHEBI_35620 |
|
| has_alternative_id |
CHEBI:681819
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|
| has_exact_synonym |
7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione Dyphylline
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
7-(2,3-dihydroxypropyl)theophylline (+-)-dyphylline (1,2-dihydroxy-3-propyl)thiophyllin Dihydroxypropyl theopylin 7-(2,3-dihydroxypropyl)-1,3-dimethylxanthine diprofilina (+-)-7-(2,3-dihydroxypropyl)theophylline diprophylline Diprophylline 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione 7-(beta,gamma-dihydroxypropyl)theophylline 1,3-dimethyl-7-(2,3-dihydroxypropyl)xanthine diprophyllinum (+-)-diprophylline
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|
| has_RxCUI |
3714
|
|
| id |
CHEBI:4728
|
|
| in_subset | ||
| 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
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|
| label |
dyphylline
|
|
| mass |
254.24260
|
|
| monoisotopicmass |
254.10150
|
|
| notation |
CHEBI:4728
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|
| prefLabel |
dyphylline
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|
| smiles |
Cn1c2ncn(CC(O)CO)c2c(=O)n(C)c1=O
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| subClassOf |
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