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

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


IUPAC Name: 6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine
CAS Number: 1007-28-9
PubChem ID: 13878
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


2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

CCRIS (Chemical Carcinogenesis Research Information System)

CTD (Comparative Toxicogenomics Database)

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.

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