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CHEBI:752694 - theobromine sodium salicylate

Default Structure
ChEBI IDCHEBI:752694
ChEBI Nametheobromine sodium salicylate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaNa.C7H8N4O2.C7H5O3
Net Charge0
Average Mass340.271
Monoisotopic Mass340.07836
SMILESCn1cnc2c1c(=O)nc(=O)n2C.O=C([O-])c1ccccc1O.[Na+]
InChIInChI=1S/C7H8N4O2.C7H6O3.Na/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;8-6-4-2-1-3-5(6)7(9)10;/h3H,1-2H3,(H,9,12,13);1-4,8H,(H,9,10);/q;;+1/p-1
InChIKeyWSRBRQQGWDWSON-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
theobromine sodium salicylate (CHEBI:752694) is a oxopurine (CHEBI:25810)
Synonym  Source
Theobromine sodium salicylateChEMBL
Brand Name  Source
DiuretinChEMBL