Triadimenol-d4

For research use only. Not for therapeutic Use.

  • CAT Number: I041670
  • CAS Number: 2121989-56-6
  • Molecular Formula: C14H14D4ClN3O2
  • Molecular Weight: 299.79
  • Purity: ≥95%
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Triadimenol-d4 is the deuterium labeled Triadimenol[1]. Triadimenol is a triazole fungicide and has been widely used in agriculture. Triadimenol has certain toxicity to animals[2].
Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].


Catalog Number I041670
CAS Number 2121989-56-6
Synonyms

1-(4-chloro-2,3,5,6-tetradeuteriophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol

Molecular Formula C14H14D4ClN3O2
Purity ≥95%
InChI InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3/i4D,5D,6D,7D
InChIKey BAZVSMNPJJMILC-UGWFXTGHSA-N
SMILES CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O
Reference

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.
 [Content Brief]

[2]. Menegola E, et al. In vitro teratogenic potential of two antifungal triazoles: triadimefon and triadimenol. In Vitro Cell Dev Biol Anim. 2000 Feb;36(2):88-95.
 [Content Brief]

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