EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:145517 - 1-methyl-3-propyl-7H-xanthine

ChEBI IDCHEBI:145517
ChEBI Name1-methyl-3-propyl-7H-xanthine
Stars
ASCII Name1-methyl-3-propyl-7H-xanthine
DefinitionAn oxopurine that is 1-methyl-7H-xanthine in which the hydrogen attached to the nitrogen at position 3 has been replaced by a propyl group.
Last Modified27 November 2019
SubmitterR. Stephan
DownloadsMolfile
FormulaC9H12N4O2
Net Charge0
Average Mass208.221
Monoisotopic Mass208.09603
SMILESCCCn1c(=O)n(C)c(=O)c2ncnc21
InChIInChI=1S/C9H12N4O2/c1-3-4-13-7-6(10-5-11-7)8(14)12(2)9(13)15/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyMCPROACZLSAAPY-UHFFFAOYSA-N
Roles Classification
Application:
bronchodilator agent  An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
ChEBI Ontology
Outgoing Relation(s)
1-methyl-3-propyl-7H-xanthine (CHEBI:145517) has functional parent 1-methyl-7H-xanthine (CHEBI:68444)
1-methyl-3-propyl-7H-xanthine (CHEBI:145517) has functional parent enprofylline (CHEBI:126237)
1-methyl-3-propyl-7H-xanthine (CHEBI:145517) has role bronchodilator agent (CHEBI:35523)
1-methyl-3-propyl-7H-xanthine (CHEBI:145517) is a oxopurine (CHEBI:25810)
IUPAC Name 
1-methyl-3-propyl-3,7-dihydro-1H-purine-2,6-dione
Synonyms  Source
1-methyl-3-propylxanthineChEBI
3,7-dihydro-1-methyl-3-propyl-1H-purine-2,6-dioneChemIDplus
1-methyl-3-n-propylxanthineChEBI
1-methyl-3-propyl-7H-purine-2,6-dioneChEBI
MPXChEBI
Registry NumbersSources
CAS:118024-67-2ChemIDplus
Citations