Caffeine () is a bitter, white crystalline xanthine alkaloid an a stimulant drug.
Quick facts Clinical data, AHFS/Drugs.com ...
Caffeine |
 |
| Clinical data |
|---|
| AHFS/Drugs.com | monograph |
|---|
Pregnancy
category |
- AU: A
- US: C (Risk nae ruled oot)
|
|---|
Dependence
liability | Low–moderate[1]
No addiction liability[1] |
|---|
Routes o
admeenistration | oral, insufflation, enema, rectal, intravenous |
|---|
| ATC code | |
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| Legal status |
|---|
| Legal status |
- AU: Unscheduled
- UK: General sales leet (GSL, OTC)
- US: OTC
|
|---|
| Pharmacokinetic data |
|---|
| Bioavailability | 99% |
|---|
| Protein bindin | 25–36%[2] |
|---|
| Metabolism | Primarily CYP1A2;[2]
Other enzymes: CYP2E1, CYP2C8, CYP2C9, CYP3A4[2] |
|---|
| Biological hauf-life | Adults: 3–7 hours[2]
Neonates: 65–130 hours[2] |
|---|
| Excretion | urine (100%) |
|---|
| Identifiers |
|---|
IUPAC name
- 1,3,7-Trimethylpurine-2,6-dione
|
| Synonyms | Methyltheobromine |
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| CAS Nummer | |
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| PubChem CID | |
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| IUPHAR/BPS | |
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| DrugBank | |
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| ChemSpider | |
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| UNII | |
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| KEGG | |
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| ChEBI | |
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| ChEMBL | |
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| PDB ligand | |
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| ECHA InfoCard | 100.000.329 |
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| Chemical and physical data |
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| Formula | C8H10N4O2 |
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| Molar mass | 194.19 g/mol |
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| 3D model (Jmol) | |
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| Density | 1.23 g/cm3 |
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| Meltin pynt | 235 tae 238 °C (455 tae 460 °F) (anhydrous) |
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| Bylin pynt | 178 °C (352 °F) (sublimes) |
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SMILES
Canonical
CN1C=NC2=C1C(=O)N(C(=O)N2C)C
|
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 Key:RYYVLZVUVIJVGH-UHFFFAOYSA-N Y
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