7-Hydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene
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![7-Hydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/37cedde2ea124aa4b785dc99dd3d0535.png "7-Hydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene")
7-Hydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene
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CAS No:
6272-55-5
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Formula:
C20H16O
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Chemical Name:
7-Hydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene
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Synonyms:
Benzo[a]pyren-7-ol,7,8,9,10-tetrahydro-;7,8,9,10-Tetrahydrobenzo[a]pyren-7-ol;7-Hydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene;(RS)-7,8,9,10-Tetrahydrobenzo[a]pyren-7-ol;(±)-7,8,9,10-Tetrahydrobenzo[a]pyren-7-ol;NSC 30871;91484-77-4
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CAS No:
Characteristics
20.23000
5.01
1.3±0.1 g/cm3
141.5-142 °C
508.5±19.0 °C at 760 mmHg
189.2±13.7 °C
1.836
Drug Information
7-hydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene has known human metabolites that include 7,8,9,10-tetrahydrobenzo[a]pyren-7-yl hydrogen sulfate.
7-HTBP
7-Hydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene Use and Manufacturing
7,8,9,10-Tetrahydro-benzo[a]pyren-7-ol is a Benzopyrene (B205800) derivative, activated by hepatic cytosol. 7,8,9,10-Tetrahydrobenzo[a]pyren-7-ol is a benzopyrene derivative that is activated by hepatic cytosol into electrophilic sulfuric acid esters, which are capable of forming covalent DNA adducts and inducing mutations.[Cayman Chemical]
Computed Properties
Molecular Weight:272.3
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:272.120115130
Monoisotopic Mass:272.120115130
Topological Polar Surface Area:20.2
Heavy Atom Count:21
Complexity:405
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
7-Hydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene
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