Substance
ID:1821937
Names and Identifiers
IUPAC name
1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
IUPAC Traditional name
theophylline
Brand Name
UniphylTheolairTheo-DurRespbidElixophyllin
Synonyms
theophylline1,3-Dimethylxanthine1,3-dimethyl-7H-purine-2,6-dioneTHEOPHYLLINETheophyllinTheophyllinetheophyllinetheophylline anhydrous
Registration numbers
PubChem CID
CAS Number
DrugBank ID
Wikipedia Title
Beilstein Number
KEGG ID
KNApSAcK Database
MetaCyc Database
PubMed Citation Links
22702215147135631880003211200776159029641500537014517178198889607656958108363231972778918307508153178321665169812836095873073292566151092176416083514111700361184825011408152118269121194139315483348159081491573941814988770171306821693049012531775730260977675397389811896087811261527158291611984573519559058119492721535664615042504108937021079663115202575111269902146767122915350218346152237774422771369225416792290917222836872225418372277022511950649172079282179670322981724
Reaxys Registry
ACToR Database
BRENDA Database
CHEMBL
CompTox Database
MetaboLights Database
MTBLS455MTBLS49MTBLS5132MTBLS4820MTBLS5148MTBLS601MTBLS615MTBLS612MTBLS890MTBLS93MTBLS926MTBLS804MTBLS673MTBLS2349MTBLS1693MTBLS2394MTBLS2878MTBLS1040MTBLS1041MTBLS1051MTBLS2559MTBLS2542MTBLS124MTBLS136MTBLS1282MTBLS1861MTBLS1785MTBLS179MTBLS204MTBLS20MTBLS205MTBLS201MTBLS3540MTBLS417MTBLS406MTBLS407MTBLS1906MTBLS2224MTBLS220MTBLS2772MTBLS2776MTBLS2679
SureChEMBL Database
IntEnz Database
Rhea Database
HMDB Database
PDBeChem Database
NMRShiftDB Database
Patent number
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
EnzymePortal Database
Drug Central Database
KEGG DRUG Database
VSDB Database
Gmelin ID
PubChem SID
Properties
No Data Available
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Molecule Details
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.
Molecular Spectra
No Data Available
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References
No Data Available
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