benzo[e]pyrene

Synonyms: "benzo(e)pyrene", "4,5-benzopyrene", "1,2-benzpyrene", "4,5-benzpyrene", "benzo(l)pyrene", "9,10-benzpyrene", "1,2-benzopyrene", "B(e)P", "benz(e)pyrene", "benz[e]pyrene", "benzo[l]pyrene", "benzpyren", "benzo[e]pyrene solution".

Source: benzo[e]pyrene is a member of the class of ubiquitous environmental pollutants called polycyclic aromatic hydrocarbons that are byproducts of combustion.

Identifiers:

IUPAC Name: benzo[e]pyrene
CAS Number: 192-97-2
PubChem ID: 9128
InChiKey: TXVHTIQJNYSSKO-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC4=C3C5=C(C=CC=C25)C=C4

Structural Properties:

Molecular Formula: C₂₀H₁₂
Molecular Weight: 252.316

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 20

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3D structure (.sdf)
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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.