Theobromine
(YAPQBXQYLJRXSA-UHFFFAOYSA-N)
Structure
- SMILES
- Cn1cnc2c1c(=O)[nH]c(=O)n2C
- Type(s)
- Investigational
- ATC code(s)
- C03BD01; R03DA07; R03DA57
- Molecular Formula:
- C7H8N4O2
- Molecular Weight:
- 180.164
- Log P:
- -1.0397
- Hydrogen Bond Acceptor:
- 5
- Hydrogen Bond Donor:
- 1
- TPSA:
- 72.68
- CAS Number(s):
- 83-67-0
Synonym(s)
1.
Theobromine
External Link(s)
| MeSH | D013805 |
| PubChem Compound | 5429 |
| BindingDB | 50014260 |
| ChEBI | 28946 |
| CHEMBL | CHEMBL1114 |
| DrugBank | DB01412 |
| DrugCentral | 2618 |
| KEGG | cpd:C07480 |
| Therapeutic Target Database | D0I0DS |
| ZINC | 2151 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Precancerous Conditions | 7821871 | CTD |
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