atrazine-desethyl

Synonyms: "deethylatrazine", "deethylatrazin", "4-deethylatrazine", "desethyl atrazine", "desethylatrazine", "des-ethyl atrazine"

Source: atrazine-desethyl is a metabolite of the herbicide Atrazine.

Identifiers:

IUPAC Name: 6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CAS Number: 6190-65-4
PubChem ID: 22563
InChiKey: DFWFIQKMSFGDCQ-UHFFFAOYSA-N
Canonical SMILES: CC(C)NC1=NC(=NC(=N1)N)Cl

Structural Properties:

Molecular Formula: C₆H₁₀ClN₅
Molecular Weight: 187.630

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 5
Number of atoms different from hydrogen: 12

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

Sanderson JT, Letcher RJ, Heneweer M, Giesy JP, van den Berg M. 2001. Effects of chloro-s-triazine herbicides and metabolites on aromatase activity in various human cell lines and on vitellogenin production in male carp hepatocytes. Environ Health Perspect 109(10):1027-1031.