10-hydroxybenzo[a]pyrene

Synonyms: "10-hydroxybenzo[a]pyrene", "10-hydroxybenzo(a)pyrene","benzo(a)pyren-10-ol", "benzo[a]pyren-10-ol","BRN 2464216", "10-hydroxybenz[a]pyrene", "10-hydroxy benzo[a]pyrene".

Source: 10-hydroxybenzo[a]pyrene is a metabolite of benzo(a)pyrene.

Identifiers:

IUPAC Name: benzo[a]pyren-10-ol
CAS Number: 56892-31-0
PubChem ID: 42028
InChiKey: ANHMWNGBSJFXSA-UHFFFAOYSA-N
Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C5C(=CC(=C43)C=C2)C=CC=C5O

Structural Properties:

Molecular Formula: C20H12O
Molecular Weight: 268.315

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 21

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Evidence Supporting This Chemical as an Endocrine Disruptor
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van Lipzig MM, Vermeulen NP, Gusinu R, Legler J, Frank H, Seidel A, Meerman JH. 2005. Formation of estrogenic metabolites of benzo[a]pyrene and chrysene by cytochrome P450 activity and their combined and supra-maximal estrogenic activity. Environ Toxicol Pharmacol 19(1):41-55. DOI: 10.1016/j.etap.2004.03.010. URL: https://www.sciencedirect.com/science/article/pii/S1382668904001279.

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