atrazine-desisopropyl

Synonyms: "6-deisopropylatrazine", "2-amino-4-chloro-6-ethylamino-s-triazine", "deisopropylatrazine", "deethylsimazine"

Source: atrazine-desisopropyl is a degradation product of the herbicide atrazine.

Identifiers:

IUPAC Name: 6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine
CAS Number: 1007-28-9
PubChem ID: 13878
InChiKey: IVENSCMCQBJAKW-UHFFFAOYSA-N
Canonical SMILES: CCNC1=NC(=NC(=N1)N)Cl

Structural Properties:

Molecular Formula: C₅H₈ClN₅
Molecular Weight: 173.604

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 5
Number of atoms different from hydrogen: 11

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2D structure (.sdf)
3D structure (.sdf)
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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.

Tran DQ, Kow KY, McLachlan JA, Arnold SF. 1996. The inhibition of estrogen receptor-mediated responses by chloro-s-triazine-derived compounds is dependent on estradiol concentration in yeast. Biochemical & Biophysical Research Communications 227(1):140-146.