triadimenol

Synonyms: "triadimefon", "baytan", "bayfidan", "baytoan", "spinnaker", "triafol", "triaphol", "summit", "tridan fungicide"

Source: triadimenol is the primary metabolite of triadimefon, a fungicide.

Identifiers:

IUPAC Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CAS Number: 55219-65-3
PubChem ID: 41368
InChiKey: BAZVSMNPJJMILC-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O

Structural Properties:

Molecular Formula: C14H18ClN3O2
Molecular Weight: 295,765

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 4
Number of atoms different from hydrogen: 20

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3D structure (.pdbqt)

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors


Vinggaard AM, Hnida C, Breinholt V, Larsen JC. 2000. Screening of selected pesticides for inhibition of CYP19 aromatase activity in vitro. Toxicol in Vitro 14(3):227-234.
Walker QD, Mailman RB. 1996. Triadimefon and triadimenol: effects on monoamine uptake and release. Toxicol Appl Pharmacol 139(2):227-233.

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