CAS 61490-68-4

7/8,9,10-Tetrahydroxytetrahydrobenzo[a]pyrene

Description:

7/8,9,10-Tetrahydroxytetrahydrobenzo[a]pyrene, with the CAS number 61490-68-4, is a polycyclic aromatic hydrocarbon (PAH) derivative known for its complex structure and multiple hydroxyl functional groups. This compound is characterized by its tetrahydrobenzo[a]pyrene backbone, which is a fully saturated version of the benzo[a]pyrene structure, modified by the addition of hydroxyl groups at specific positions. The presence of these hydroxyl groups significantly influences its chemical reactivity, solubility, and potential biological activity. PAHs, including this compound, are often studied for their environmental persistence and potential carcinogenic effects. The hydroxyl substitutions can enhance the compound's polarity, affecting its interaction with biological systems and its overall toxicity profile. Additionally, the compound's structure may lead to unique photochemical properties, making it of interest in both environmental chemistry and toxicology research. Understanding the characteristics of such compounds is crucial for assessing their environmental impact and health risks associated with exposure.

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-/m1/s1

InChI key: InChIKey=KWFVZAJQUSRMCC-GMSXMFRFNA-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:

• 7β,8α,9α,10α-Tetrahydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene
• Benzo[a]pyrene-7,8,9,10-tetrol, 7,8,9,10-tetrahydro-, (7R,8S,9R,10R)-rel-
• Benzo[a]pyrene-7,8,9,10-tetrol, 7,8,9,10-tetrahydro-, (7α,8β,9β,10β)-
• 7/8,9,10-Tetrahydroxytetrahydrobenzo[a]pyrene
• rel-(7R,8S,9R,10R)-7,8,9,10-Tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol

Benzo[a]pyrenetetrol I 2

Controlled Product

CAS: 61490-68-4

Formula: C₂₀H₁₆O₄

Color and Shape: Neat

Molecular weight: 320.339

Ref: TR-B205845

Benzo[a]pyrenetetrol I 2-13C4

Controlled Product

CAS: 61490-68-4

Applications Isotope labelled Benzo[a]pyrenetetrol I 2 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-B205848

Benzo[a]pyrenetetrol I 2-d8

Controlled Product

CAS: 61490-68-4

Formula: C₂₀H₈D₈O₄

Color and Shape: Neat

Molecular weight: 328.388

Ref: TR-B205847