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CHEBI:34795 - 3-isobutyl-1-methyl-7H-xanthine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-isobutyl-1-methyl-7H-xanthine
ChEBI ID CHEBI:34795
ChEBI ASCII Name 3-isobutyl-1-methyl-7H-xanthine
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Save molfile Download Molfile
Formula C10H14N4O2
Net Charge 0
Average Mass 222.24392
Monoisotopic Mass 222.112
InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
InChIKey APIXJSLKIYYUKG-UHFFFAOYSA-N
SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
ChEBI Ontology
Outgoing 3-isobutyl-1-methyl-7H-xanthine (CHEBI:34795) has functional parent 7H-xanthine (CHEBI:48517)
3-isobutyl-1-methyl-7H-xanthine (CHEBI:34795) is a 3-isobutyl-1-methylxanthine (CHEBI:48518)
3-isobutyl-1-methyl-7H-xanthine (CHEBI:34795) is tautomer of 3-isobutyl-1-methyl-9H-xanthine (CHEBI:43253)
Incoming 3-isobutyl-1-methyl-9H-xanthine (CHEBI:43253) is tautomer of 3-isobutyl-1-methyl-7H-xanthine (CHEBI:34795)
IUPAC Name
1-methyl-3-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Synonyms Sources
1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPHAR
1-methyl-3-isobutylxanthine ChemIDplus
3-isobutyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione IUPAC
3-isobutyl-1-methylxanthine IUPHAR
3-Isobutyl-1-methyxanthine KEGG COMPOUND
IBMX KEGG COMPOUND
Database Links Databases
C13708 KEGG COMPOUND
IBM PDBeChem
LSM-24983 LINCS
View more database links
Registry Numbers Types Sources
247859 Beilstein Registry Number Beilstein
28822-58-4 CAS Registry Number ChemIDplus
Last Modified
25 February 2016