API reference
Caffeine anhydrous
- CAS number
- 58-08-2
- Molecular formula
- C8H10N4O2
- Molecular weight
- 194.19 g/mol
About this molecule
Caffeine is a trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee. It has a role as a geroprotector, a mutagen, a central nervous system stimulant, a psychotropic drug, a diuretic, a xenobiotic, an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor, an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor, an adenosine A2A receptor antagonist, an adjuvant, a food additive, a ryanodine receptor agonist, an adenosine receptor antagonist, a mouse metabolite, a plant metabolite, a fungal metabolite, an environmental contaminant and a human blood serum metabolite. It is a purine alkaloid and a trimethylxanthine.
Source: ChEBI, via PubChem.
Identifiers
- IUPAC name
- 1,3,7-trimethylpurine-2,6-dione
- InChIKey
- RYYVLZVUVIJVGH-UHFFFAOYSA-N
- SMILES
- CN1C=NC2=C1C(=O)N(C(=O)N2C)C
- Other CAS numbers recorded
- 114303-55-8
- PubChem CID
- 2519
Also known as
caffeine · Guaranine · 1,3,7-Trimethylxanthine · Methyltheobromine · Theine · Thein · Cafeina · Caffein
Chemical data on this page is drawn from PubChem (National Library of Medicine) and is provided for identification only. Hanpars does not hold stock of every substance listed; availability, grade, documentation and regulatory status are confirmed per enquiry.
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