1,3-dinitropyrene
(KTNUVDBUEAQUON-UHFFFAOYSA-N)
Structure
- SMILES
- [O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1
- Molecular Formula:
- C16H8N2O4
- Molecular Weight:
- 292.246
- Log P:
- 5.4468
- Hydrogen Bond Acceptor:
- 0
- Hydrogen Bond Donor:
- 0
- TPSA:
- 91.64
- CAS Number(s):
- 75321-20-9
Synonym(s)
1.
1,3-dinitropyrene
External Link(s)
| MeSH | C037413 |
| PubChem Compound | 53230 |
| ChEBI | 82456 |
| CHEMBL | CHEMBL354669 |
| KEGG | cpd:C19408 |
| ZINC | 1854513 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Chromosome Aberrations | 1908946 | CTD | |
| 2 | Leukemia, Experimental | 3829965 | CTD | |
| 3 | Liver Neoplasms, Experimental | 3731386 | CTD | |
| 4 | Mammary Neoplasms, Experimental | 1649014 3829965 | CTD | |
| 5 | Papilloma | 6744230 | CTD | |
| 6 | Sarcoma, Experimental | 6722977 | CTD | |
| 7 | Vulvar Neoplasms | 3829965 | CTD |
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