7,12-dimethylbenz[a]anthracene

Synonyms: "7,12-dimethylbenzanthracene", "7,12-dimethyltetraphene", "7,12-DMBA", "7,12-dimethylbenzo[a]anthracene", "7,12-dimethylbenzanthrancene", "7,12-dimethyl-1,2-benzanthracene", "1,4-dimethyl-2,3-benzphenanthrene".

Source: 7,12-dimethylbenz[a]anthracene is an organic pollutant generated from the incomplete combustion of gasoline and coal.

Identifiers:

IUPAC Name: 7,12-dimethylbenzo[a]anthracene
CAS Number: 57-97-6
PubChem ID: 6001
InChiKey: ARSRBNBHOADGJU-UHFFFAOYSA-N
Canonical SMILES: CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)C

Structural Properties:

Molecular Formula: C₂₀H₁₆
Molecular Weight: 256.348

Pharmacophore Features:

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

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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/S1383571801002406Vinggaard AM, Hnida C, Larsen JC. 2000. Environmental polycyclic aromatic hydrocarbons affect androgen receptor activation in vitro. Toxicology 145(2-3):173-183. DOI: 10.1016/S0300-483X(00)00143-8. URL: https://www.sciencedirect.com/science/article/pii/S0300483X00001438.