CHEBI:749633 - theophylline glycinate

ChEBI IDCHEBI:749633
ChEBI Nametheophylline glycinate
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Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC2H5NO2.C7H8N4O2
Net Charge0
Average Mass255.234
Monoisotopic Mass255.09675
SMILESCn1c(=O)c2ncnc2n(C)c1=O.NCC(=O)O
InChIInChI=1S/C7H8N4O2.C2H5NO2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2(4)5/h3H,1-2H3,(H,8,9);1,3H2,(H,4,5)
InChIKeyHXSKWEQQPCKYIF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
theophylline glycinate (CHEBI:749633) is a oxopurine (CHEBI:25810)