|
Compound Information
|
| ID |
597 |
| TrivialName |
Adenine |
| Type |
Miscellaneous |
| MF |
C₅H₅N₅ |
| MolecularWeight |
135.13 |
| IUPACName |
7H-purin-6-amine |
| m/z |
NT |
| Retention Time |
NT |
| CCS |
NT |
| Adducts |
NT |
| Isomeric SMILES |
NC1=C2C(NC=N2)=NC=N1 |
| Canonical SMILES |
Nc1ncnc2[nH]cnc12 |
| Source |
PQ |
| Functions |
NT |
| Toxicity Organism |
rat, mouse, mouse, mouse, rat |
| Toxicity Type |
LD50 |
| Toxicity Route |
intraperitoneal, oral, intraperitoneal, intravenous, oral |
| Toxicity Dose |
198 mg/kg, 783 mg/kg, 100 mg/kg, >30 mg/kg, 227 mg/kg |
| Year |
2008 |
| References |
Changda et al. (2008)
|
| Structure |
|
