![Benzo[a]pyrene-1,6-quinone](https://resource.bocsci.com/structure/3067-13-8.gif)
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| IUPAC Name: | benzo[b]pyrene-1,6-dione |
| Description: | Benzo[a]pyrene-1,6-quinone is a metabolite of Benzopyrene (B205800) and is able to induce epidermal growth factor receptor (EGFR) cell signaling in human mammary epithelial cells. Also highly mutagenic and carcinogenic. |
| Molecular Weight: | 282.29 |
| Molecular Formula: | C20H10O2 |
| Canonical SMILES: | C1=CC=C2C(=C1)C3=CC=C4C(=O)C=CC5=C4C3=C(C2=O)C=C5 |
| InChI: | InChI=1S/C20H10O2/c21-17-10-6-11-5-7-16-19-13(8-9-15(17)18(11)19)12-3-1-2-4-14(12)20(16)22/h1-10H |
| InChI Key: | OXWHZARNAGLRFL-UHFFFAOYSA-N |
| Solubility: | Chloroform (Slightly, Heated) |
| Appearance: | Orange to Dark Orange Solid |
| Storage: | 4°C |
| References: | Rodriguez-Fragoso, L., et al. Toxicol. Appl. Pharm., 235, 321 (2009); Sen, S., et al. Chem. Res. Toxicol., 25, 2117 (2012). |
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