Caffeine
From DrugPedia: A Wikipedia for Drug discovery
| Caffeine
| |
| Systematic (IUPAC) name | |
| 1,3,7-trimethylpurine-2,6-dione | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C8H10N4O2 |
| Mol. mass | 194.1906 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
[edit] Description
A methylxanthine naturally occurring in some beverages and also used as a pharmacological agent. Caffeine's most notable pharmacological effect is as a central nervous system stimulant, increasing alertness and producing agitation. It also relaxes SMOOTH MUSCLE, stimulates CARDIAC MUSCLE, stimulates DIURESIS, and appears to be useful in the treatment of some types of headache. Several cellular actions of caffeine have been observed, but it is not entirely clear how each contributes to its pharmacological profile. Among the most important are inhibition of cyclic nucleotide PHOSPHODIESTERASES, antagonism of ADENOSINE RECEPTORS, and modulation of intracellular calcium handling.
[edit] General Properties
*Molecular Weight
194.1906
*Molecular Formula
C8H10N4O2
*IUPAC NAME
1,3,7-trimethylpurine-2,6-dione
*Canonical Smiles
CN1C=NC2=C1C(=O)N(C(=O)N2C)C
*Isomeric Smiles
N/A
*XLogP
-0.5
*Topological Polar Surface Area
58.4
