Substance

ID:1839475

Names and Identifiers
IUPAC Traditional name
3-methylxanthine
IUPAC name
3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Synonyms
3-methyl-3,7(9)-dihydro-purine-2,6-dione3-methyl-7H-xanthine3,7-dihydro-3-methyl-1H-purine-2,6-dione3-methylxanthineN(1)-demethyltheophylline
Registration numbers
CAS Number
1076-22-8
PubChem CID
70639
KEGG ID
C16357
ACToR Database
1076-22-8
BKMS React Database
168682112444
BRENDA Ligand Database
168682112444
CHEMBL
CHEMBL619
CompTox Database
DTXSID90148107
SABIO-RK Database
194
SureChEMBL Database
SCHEMBL237146
UniProt Database
H9N289H9N290
BindingDB Database
50001515
MetaCyc Database
3-METHYLXANTHINE
Reaxys Registry
180944
MetaboLights Database
MTBLS1040
HMDB Database
HMDB0001886
EnzymePortal Database
H9N289H9N290
CHEBI ID
CHEBI:62208
PubChem SID
123058781
Properties
No Data Available
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Molecule Details
A 3-methylxanthine tautomer where the imidazole proton is located at the 7-position.
Molecular Spectra
No Data Available
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References
No Data Available
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