Tebuconazole

Synonyms: Tebuconazole, "Folicur", "Tebuconazol", "Fenetrazole", "Terbutrazole", "Terbuconazole", "Ethyltrianol", "Etiltrianol", "Raxil", "Elite", "Preventol A 8", "LYNX", "3-((1H-1,2,4-Triazol-1-yl)methyl)-1-(4-chlorophenyl)-4,4-dimethylpentan-3-ol", "1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol", "1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol"

Source: tebuconazole is a triazole fungicide used as a seed dressing and spray.

Identifiers:

IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
CAS Number: 107534-96-3
PubChem ID: 86102
InChiKey: PXMNMQRDXWABCY-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O

Structural Properties:

Molecular Formula: C₁₆H₂₂ClN₃O
Molecular Weight: 307,820

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 21

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Evidence Supporting This Chemical as an Emerging Contaminant

Peng, Y., Fang, W., Krauss, M., Brack, W., Wang, Z., Li, F., & Zhang, X. (2018). Screening hundreds of emerging organic pollutants (EOPs) in surface water from the Yangtze River Delta (YRD): occurrence, distribution, ecological risk. Environmental pollution, 241, 484-493.

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2D-structure

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