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CAS 37571-88-3

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Benzo[a]pyrene-trans-4,5-dihydrodiol

Description:
Benzo[a]pyrene-trans-4,5-dihydrodiol is a polycyclic aromatic hydrocarbon (PAH) that is a derivative of benzo[a]pyrene, a well-known environmental pollutant and carcinogen. This compound features a fused ring structure typical of PAHs, with a diol functional group indicating the presence of two hydroxyl (-OH) groups. Its trans configuration refers to the specific spatial arrangement of the hydrogen atoms around the carbon-carbon double bond in the diol moiety. Benzo[a]pyrene-trans-4,5-dihydrodiol is of interest in environmental chemistry due to its formation during the metabolic activation of benzo[a]pyrene and its potential role in the development of cancer. The compound is typically found in combustion products, such as those from tobacco smoke and grilled foods, and can also be present in urban air pollution. Its toxicity and mutagenicity have been studied extensively, making it a significant subject of research in toxicology and environmental health. Proper handling and disposal are essential due to its hazardous nature.
Formula:C20H14O2
InChI:InChI=1/C20H14O2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h1-10,19-22H/t19-,20-/m1/s1
InChI key:InChIKey=OYOQHRXJXXTZII-YLBUIOQXNA-N
SMILES:O[C@H]1C=2C3=C4C([C@@H]1O)=CC=CC4=CC=C3C=5C(C2)=CC=CC5
Synonyms:
  • (±)-Benzo[a]pyrene-trans-4,5-dihydrodiol
  • 4,5-Dihydrobenzo[a]pyrene-4,5-trans-(e,e)-diol
  • Benzo(a)pyrene-4,5-diol, 4,5-dihydro-, trans-(-)-
  • Benzo[a]pyrene-4,5-diol, 4,5-dihydro-, (4R,5R)-rel-
  • benzo[a]pyrene-4,5-diol, 4,5-dihydro-, (4R,5R)-
  • rel-(4R,5R)-4,5-Dihydrobenzo[a]pyrene-4,5-diol
  • trans-(-)-4,5-Dihydrobenzo(a)pyrene-4,5-diol
  • trans-4,5-Dihydro-4,5-dihydroxybenzo[a]pyrene
  • trans-4,5-Dihydrodiolbenzo[a]pyrene
  • trans-4,5-Dihydroxy-4,5-dihydrobenzo[a]pyrene
  • See more synonyms
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