benzo(a)perylene

Synonyms: "Benzo(a)perylene", "Benzo[a]perylene", "Benzoperylene", "1,2-Benzoperylene", "benzo [a] perylene".

Source: benzo(a)perylene is a member of the class of ubiquitous environmental pollutants called polycyclic aromatic hydrocarbons that are byproducts of combustion.

Identifiers:

IUPAC Name: hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene
CAS Number: 191-85-5
PubChem ID: 115240
InChiKey: JDPBLCQVGZLACA-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C5=CC=CC6=C5C4=CC=C6

Structural Properties:

Molecular Formula: C₂₄H₁₄
Molecular Weight: 302.376

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 24

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3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Machala M, Vondracek J, Blaha L, Ciganek M, Neca JV. 2001. Aryl hydrocarbon receptor-mediated activity of mutagenic polycyclic aromatic hydrocarbons determined using in vitro reporter gene assay. Mutat Res 497(1-2):49-62. DOI: 10.1016/S1383-5718(01)00240-6. URL: https://www.sciencedirect.com/science/article/pii/S1383571801002406.