Drugs Information: Caffeine

Basic Information

ID DDInter263
Drug Type small molecule
Molecular Formula C8H10N4O2
Molecular Weight 194.194
Description Caffeine is a stimulant present in tea, coffee, cola beverages, analgesic drugs, and agents used to increase alertness. It is also used in to prevent and treat pulmonary complications of premature birth.
ATC Classification R03DA20 V04CG30 N06BC01
IUPAC Name 1,3,7-Trimethyl-2,3,6,7-Tetrahydro-1H-Purine-2,6-Dione
InChI Inchi=1S/C8H10N4O2/C1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/H4H,1-3H3
InChI Key RYYVLZVUVIJVGH-UHFFFAOYSA-N
Canonical SMILES CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Useful Links DrugBank ChEMBL PubChem

Interactions with Caffeine

Severity level ID Name Mechanism Detail