Benzo[a]pyrene-7,8-dihydrodiol 9,10-epoxide
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![Benzo[a]pyrene-7,8-dihydrodiol 9,10-epoxide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/da62525c34b34986bdf4897af5bcc2af.png "Benzo[a]pyrene-7,8-dihydrodiol 9,10-epoxide")
Benzo[a]pyrene-7,8-dihydrodiol 9,10-epoxide
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CAS No:
55097-80-8
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Formula:
C20H14O3
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Chemical Name:
Benzo[a]pyrene-7,8-dihydrodiol 9,10-epoxide
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Synonyms:
Benzo[10,11]chryseno[3,4-b]oxirene-7,8-diol,7,8,8a,9a-tetrahydro-;7,8,8a,9a-Tetrahydrobenzo[10,11]chryseno[3,4-b]oxirene-7,8-diol;7,8-Dihydro-7,8-dihydroxybenzo[a]pyrene 9,10-oxide;7,8-Dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene;7,8,9,10-Tetrahydro-7,8-diol-9,10-epoxybenzo(a)pyrene;7,8,9,10-Tetrahydro-7,8-dihydroxybenzo[a]pyrene 9,10-epoxide;7,8,9,10-Tetrahydrobenzo[a]pyrene-7,8-diol 9,10-epoxide;Benzo[a]pyrene-7,8-dihydrodiol 9,10-epoxide
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CAS No:
Description
Benzo[a]pyrene diol epoxide I is an epoxide. It has a role as an intercalator. It derives from a hydride of a benzo[a]pyrene.|7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno (3,4-b)oxirene-7,8-diol. A benzopyrene derivative with carcinogenic and mutagenic activity.
Drug Information
Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes. (See all compounds classified as Mutagens.)|Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included. (See all compounds classified as Carcinogens.)
Benzo(a)pyrene diol epoxide is a known human metabolite of 7,8-Dihydrobenzo[a]pyrene-7,8-diol.
7,8-BaP-9,10-Diol Epoxide
Computed Properties
Molecular Weight:302.3
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:302.094294304
Monoisotopic Mass:302.094294304
Topological Polar Surface Area:53
Heavy Atom Count:23
Complexity:507
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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