7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide
(DQEPMTIXHXSFOR-UHFFFAOYSA-N)
Structure
- SMILES
- OC1C2OC2c2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2
- Molecular Formula:
- C20H14O3
- Molecular Weight:
- 302.323
- Log P:
- 3.4318
- Hydrogen Bond Acceptor:
- 3
- Hydrogen Bond Donor:
- 2
- TPSA:
- 52.99
- CAS Number(s):
- 55097-80-8
Synonym(s)
1.
7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide
2.
7,8-Dihydroxy-9,10-Epoxy-7,8,9,10-Tetrahydrobenzo(a)pyrene
3.
Benzo(a)pyrene 7,8-Dihydrodiol 9,10-Epoxide
4.
7,8-BaP-9,10-Diol Epoxide
5.
Anti-BaPDE
6.
BPDE
7.
Benzo(a)pyrene-7,8-diol 9,10-Epoxide
8.
Anti BaPDE
External Link(s)
| MeSH | D015123 |
| PubChem Compound | 41322 |
| ChEBI | 30614 |
| CHEMBL | CHEMBL1743211 |
| KEGG | cpd:C14853 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Chromosome Breakage | 30453383 | CTD | |
| 2 | Esophageal Neoplasms | 20426865 | CTD | |
| 3 | Neoplasm Invasiveness | 20416286 | CTD | |
| 4 | Skin Neoplasms | 21501596 | CTD |
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