benzo(a)pyrene

Synonyms: "benzo[a]pyrene", "3,4-benzopyrene", "3,4-benzpyrene", "benzo[pqr]tetraphene", "benz[a]pyrene", "6,7-Benzopyrene", "benzpyrene"

Source: benzo(a)pyrene is a polycyclic aromatic hydrocarbon that is a byproduct of incomplete combustion or burning of organic (carbon-containing) items, e.g., cigarettes, gasoline, and wood.

Identifiers:

IUPAC Name: 2,2-dioxo-3-propan-2-yl-1H-2?6,1,3-benzothiadiazin-4-one
CAS Number: 50-32-8
PubChem ID: 2336
InChiKey: FMMWHPNWAFZXNH-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3

Structural Properties:

Molecular Formula: C20H12
Molecular Weight: 252,3093

Pharmacophore Features:

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

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)

GENE-TOX

CTD (Comparative Toxicogenomics Database)

IRIS (Integrated Risk Information System)

ITER (International Toxicity Estimates for Risk)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors


Thomas P. 1990. Teleost model for studying the effects of chemicals on female reproductive endocrine function. J Exp Zool Suppl 4:126-128.

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Keywords


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