BIAdb Caffeine 1672
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1672 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1672 Link to BIAdb Database] | ||
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Current revision
| BIAdb Caffeine 1672
| |
| 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 | ? |
Contents |
[edit] Description
[edit] Source
Ilex paraguayensis
[edit] Function
Smooth muscle relaxant
[edit] General Properties
*Molecular Weight
194.1906
*Exact Mass
194.080376
*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
-0.1
*Hydrogen bond donor
0
*Hydrogen bond acceptor
3
*Rotational Bond Count
0
*Topological Polar Surface Area
58.4
