loading...| Preferred Name | Theophylline | |
| Synonyms |
1,3-Dimethylxanthine theophylline anhydrous Elixophyllin 1,3-dimethyl-7H-purine-2,6-dione Theophyllin Respbid Theo-Dur Theolair Uniphyl theophylline Theophylline THEOPHYLLINE 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
|
| Definitions |
A dimethylxanthine having the two methyl groups located at positions 1 and 3. It is structurally similar to caffeine and is found in green and black tea. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_28177 |
|
| alternative term |
1,3-Dimethylxanthine theophylline anhydrous Elixophyllin 1,3-dimethyl-7H-purine-2,6-dione Theophyllin Respbid Theo-Dur Theolair Uniphyl theophylline Theophylline THEOPHYLLINE 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
|
| bearer_of |
http://purl.obolibrary.org/obo/CHEBI_50846 http://purl.obolibrary.org/obo/CHEBI_85234 http://purl.obolibrary.org/obo/CHEBI_51371 http://purl.obolibrary.org/obo/CHEBI_49103 http://purl.obolibrary.org/obo/CHEBI_71232 http://purl.obolibrary.org/obo/CHEBI_35620 http://purl.obolibrary.org/obo/CHEBI_76946 http://purl.obolibrary.org/obo/CHEBI_50218 http://purl.obolibrary.org/obo/CHEBI_67079 |
|
| charge |
0 |
|
| database_cross_reference |
HMDB:HMDB0001889 PMID:16930490 PMID:8960878 PMID:15908149 PMID:11826912 PMID:11126990 PMID:10921764 PMID:16083514 PMID:11200776 PMID:17207928 PMID:22909172 PMID:22541679 PMID:21834615 PMID:14713563 PMID:10796631 PMID:22981724 PMID:22702215 PMID:15902964 PMID:17130682 PMID:7656958 PMID:11950649 KNApSAcK:C00001510 PMID:15042504 Gmelin:51226 PMID:14517178 PMID:19727789 PMID:7767539 PMID:7389811 PMID:11408152 PMID:21467671 PMID:11261527 PMID:22771369 PMID:18800032 PMID:15317832 CAS:58-55-9 PMID:16651698 PMID:18307508 PMID:19845735 PMID:10893702 PMID:9256615 PMID:22836872 PMID:11848250 PMID:12836095 Wikipedia:Theophylline PMID:19888960 PMID:11170036 PMID:15005370 PMID:15356646 PMID:14988770 PMID:10836323 PMID:22541837 KEGG:D00371 PMID:7302609 Reaxys:13463 PMID:15202575 DrugBank:DB00277 PMID:15483348 PMID:11949272 PMID:22770225 PMID:21796703 PMID:19559058 Beilstein:13463 MetaCyc:CPD-12479 PMID:12531775 PDBeChem:TEP Drug_Central:2620 PMID:22915350 KEGG:C07130 PMID:15739418 PMID:15829161 PMID:11941393 PMID:22377744 PMID:8730732 VSDB:1801 |
|
| formula |
C7H8N4O2 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_50846 http://purl.obolibrary.org/obo/CHEBI_85234 http://purl.obolibrary.org/obo/CHEBI_51371 http://purl.obolibrary.org/obo/CHEBI_49103 http://purl.obolibrary.org/obo/CHEBI_71232 http://purl.obolibrary.org/obo/CHEBI_35620 http://purl.obolibrary.org/obo/CHEBI_76946 http://purl.obolibrary.org/obo/CHEBI_50218 http://purl.obolibrary.org/obo/CHEBI_67079 |
|
| has_alternative_id |
CHEBI:45950 CHEBI:26940 CHEBI:9523 |
|
| has_exact_synonym |
theophylline Theophylline THEOPHYLLINE 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
1,3-Dimethylxanthine theophylline anhydrous Elixophyllin 1,3-dimethyl-7H-purine-2,6-dione Theophyllin Respbid Theo-Dur Theolair Uniphyl |
|
| has_RxCUI |
10438 |
|
| id |
CHEBI:28177 |
|
| in_subset | ||
| inchi |
InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) |
|
| inchikey |
ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
|
| is bearer of | ||
| label |
theophylline Theophylline |
|
| mass |
180.16418 |
|
| monoisotopicmass |
180.06473 |
|
| notation |
CHEBI:28177 |
|
| prefixIRI |
CHEBI:28177 |
|
| prefLabel |
Theophylline |
|
| smiles |
Cn1c2nc[nH]c2c(=O)n(C)c1=O |
|
| textual definition |
A dimethylxanthine having the two methyl groups located at positions 1 and 3. It is structurally similar to caffeine and is found in green and black tea. |
|
| subClassOf |