CAS 61490-67-3

Benzo[a]pyrenetetrol II 1

Description:

Benzo[a]pyrenetetrol II, with the CAS number 61490-67-3, is a polycyclic aromatic hydrocarbon (PAH) derivative known for its complex structure and potential biological activity. This compound is characterized by the presence of multiple fused aromatic rings, which contribute to its stability and hydrophobic nature. Benzo[a]pyrenetetrol II is a metabolite of benzo[a]pyrene, a well-known environmental pollutant and carcinogen. The presence of hydroxyl groups in its structure enhances its solubility in polar solvents compared to its parent compound, potentially influencing its reactivity and biological interactions. This substance is of interest in environmental chemistry and toxicology due to its implications in human health, particularly concerning its role in the formation of DNA adducts and its potential carcinogenic effects. Additionally, its behavior in biological systems and the environment can be influenced by factors such as pH, temperature, and the presence of other chemical species. Understanding the characteristics of Benzo[a]pyrenetetrol II is crucial for assessing its environmental impact and health risks.

Formula: C₂₀H₁₆O₄

InChI: InChI=1/C20H16O4/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)18(22)20(24)19(17)23/h1-8,17-24H/t17-,18-,19+,20+/s2

InChI key: InChIKey=KWFVZAJQUSRMCC-QWORDAFBNA-N

SMILES: O[C@H]1C=2C=3C4=C5C(=CC3)C=CC=C5C=CC4=CC2[C@H](O)[C@@H](O)[C@@H]1O

Synonyms:

• (+/-)-7r,8t,9t,10c-Tetrahydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
• (±)-Benzo[a]pyrene-r-7,t-8,c-9,t-10-tetrahydrotetrol
• 7,9/8,10-Tetrahydroxytetrahydrobenzo[a]pyrene
• 7β,8α,9β,10α-Tetrahydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene
• Benzo[a]pyrene-7,8,9,10-tetrol, 7,8,9,10-tetrahydro-, (7R,8S,9S,10R)-rel-
• Benzo[a]pyrene-7,8,9,10-tetrol, 7,8,9,10-tetrahydro-, (7α,8β,9α,10β)-
• Benzo[a]pyrenetetrol II 1
• R-7,T-8,T-9,C-10-Tetrahydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
• benzo[a]pyrene-7,8,9,10-tetrol, 7,8,9,10-tetrahydro-, (7S,8R,9R,10S)-
• rel-(7R,8S,9S,10R)-7,8,9,10-Tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol

Benzo[a]pyrenetetrol II 1-d8

Controlled Product

CAS: 61490-67-3

Formula: C₂₀D₈H₈O₄

Color and Shape: Neat

Molecular weight: 328.388

Ref: TR-B205852

Benzo[a]pyrenetetrol II 1 -13C4

Controlled Product

CAS: 61490-67-3

Applications Isotope labelled Benzo[a]pyrenetetrol II 1 is an environmental pollutant and carcinogen in humans and rodents, used in metabolic studies.
References Uppstad, H. et al.: Toxicol. Lett., 192, 221 (2010); Solhaug, A. et al.: Chem. Biol. Int., 15, 101 (2005);

Formula: C₄C₁₆H₁₆O₄

Color and Shape: Neat

Molecular weight: 324.309

Ref: TR-B205853