Theobromine
General
Type : Purine, Alkaloid, Natural, Not AlphaBeta Hydrolase target
Chemical_Nomenclature : 3,7-dimethylpurine-2,6-dione
Canonical SMILES : CN1C=NC2=C1C(=O)NC(=O)N2C
InChI : InChI=1S\/C7H8N4O2\/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2\/h3H,1-2H3,(H,9,12,13)
InChIKey : YAPQBXQYLJRXSA-UHFFFAOYSA-N
Other name(s) : 3,7-Dimethylxanthine || Diurobromine || Theosalvose || Santheose || Teobromin || Theostene || CHEBI:28946 || CHEMBL1114 || SCHEMBL3184
MW : 180.16
Formula : C7H8N4O2
CAS_number : 83-67-0
PubChem : 5429
UniChem : YAPQBXQYLJRXSA-UHFFFAOYSA-N
Target
References (4)
| Title : Novel potent and selective dual acetylcholinesterase inhibitors: N-substituted theobromine and theophylline derivatives - Biscussi_2025_RSC.Med.Chem__ |
| Author(s) : Biscussi B , Cueto-Diaz EJ , Perez C , Rodriguez-Franco MI , Murray AP |
| Ref : RSC Med Chem , : , 2025 |
| Abstract : |
| PubMedSearch : Biscussi_2025_RSC.Med.Chem__ |
| PubMedID: 40027350 |
| Title : Neuroprotective Effects of Theobromine in permanent bilateral common carotid artery occlusion rat model of cerebral hypoperfusion - Bhat_2022_Metab.Brain.Dis__ |
| Author(s) : Bhat JA , Kumar M |
| Ref : Metabolic Brain Disease , : , 2022 |
| Abstract : |
| PubMedSearch : Bhat_2022_Metab.Brain.Dis__ |
| PubMedID: 35587851 |
| Title : Synthesis and Biological Evaluation of Structurally Varied 5'-\/6'-Isonucleosides and Theobromine-Containing N-Isonucleosidyl Derivatives - Xavier_2019_Pharmaceuticals.(Basel)_12_ |
| Author(s) : Xavier NM , De Sousa EC , Pereira MP , Loesche A , Serbian I , Csuk R , Oliveira MC |
| Ref : Pharmaceuticals (Basel) , 12 : , 2019 |
| Abstract : |
| PubMedSearch : Xavier_2019_Pharmaceuticals.(Basel)_12_ |
| PubMedID: 31269639 |