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CHEBI:752425 - theophylline olamine

Default Structure
ChEBI IDCHEBI:752425
ChEBI Nametheophylline olamine
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC2H7NO.C7H8N4O2
Net Charge0
Average Mass241.251
Monoisotopic Mass241.11749
SMILESCn1c(=O)c2ncnc2n(C)c1=O.NCCO
InChIInChI=1S/C7H8N4O2.C2H7NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h3H,1-2H3,(H,8,9);4H,1-3H2
InChIKeyDAAFJZUNCOXSKD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
theophylline olamine (CHEBI:752425) is a oxopurine (CHEBI:25810)
Synonyms  Source
Theophylline ethanolamineChEMBL
Theophylline monoethanolamineChEMBL
Theophylline olamineChEMBL