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CHEBI:752135 - theobromine sodium acetate

Default Structure
ChEBI IDCHEBI:752135
ChEBI Nametheobromine sodium acetate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaNa.C7H8N4O2.C2H3O2
Net Charge0
Average Mass262.201
Monoisotopic Mass262.06780
SMILESCC(=O)[O-].Cn1cnc2c1c(=O)nc(=O)n2C.[Na+]
InChIInChI=1S/C7H8N4O2.C2H4O2.Na/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;1-2(3)4;/h3H,1-2H3,(H,9,12,13);1H3,(H,3,4);/q;;+1/p-1
InChIKeyTYIPBFCVIBTJOV-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
theobromine sodium acetate (CHEBI:752135) is a oxopurine (CHEBI:25810)
Synonym  Source
Theobromine sodium acetateChEMBL