terbuthylazine

Synonyms: "N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diamine", "terbutylazine", "gardoprim", "terbutylethylazine", "terbutazine", "Primatol M", "Sorgoprim", "Gardeprim A 1862", "Primatol-M80".

Source: Terbuthylazine is a triazine selective systemic herbicide.

Identifiers:

IUPAC Name: 2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CAS Number: 5915-41-3
PubChem ID: 22206
InChiKey: FZXISNSWEXTPMF-UHFFFAOYSA-N
Canonical SMILES: CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C

Structural Properties:

Molecular Formula: C₉H₁₆ClN₅
Molecular Weight: 229.712

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 5
Number of atoms different from hydrogen: 15

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

Kjeldsen LS, Ghisari M, Bonefeld-Jorgensen EC. 2013. Currently used pesticides and their mixtures affect the function of sex hormone receptors and aromatase enzyme activity. Toxicol Appl Pharmacol 272(2):453-464. DOI: 10.1016/j.taap.2013.06.028. URL: https://www.sciencedirect.com/science/article/pii/S0041008X13003013.