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CAS 159532-41-9

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1H-1,2,4-Triazole-1-ethanol, α-(2,4-difluorophenyl)-α-(1H-1,2,4-triazol-1-ylmethyl)-, methanesulfonate (1:1)

Description:
1H-1,2,4-Triazole-1-ethanol, α-(2,4-difluorophenyl)-α-(1H-1,2,4-triazol-1-ylmethyl)-, methanesulfonate (1:1) is a chemical compound characterized by its triazole ring structure, which is known for its biological activity, particularly in pharmaceuticals and agrochemicals. The presence of the difluorophenyl group suggests potential applications in medicinal chemistry, as fluorinated compounds often exhibit enhanced metabolic stability and bioactivity. The methanesulfonate moiety indicates that this compound may be used as a salt form, which can influence its solubility and stability in various environments. This compound is likely to exhibit properties typical of triazoles, such as antifungal and antimicrobial activities, making it of interest in drug development. Additionally, the specific arrangement of functional groups can affect its reactivity and interaction with biological targets. As with many triazole derivatives, it may also participate in hydrogen bonding and coordination with metal ions, further expanding its potential applications in coordination chemistry and catalysis.
Formula:C13H12F2N6O·CH4O3S
InChI:InChI=1S/C13H12F2N6O.CH4O3S/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21;1-5(2,3)4/h1-3,6-9,22H,4-5H2;1H3,(H,2,3,4)
InChI key:InChIKey=DWJUZHMCPBPNFH-UHFFFAOYSA-N
SMILES:C(CN1C=NC=N1)(CN2C=NC=N2)(O)C3=C(F)C=C(F)C=C3.S(C)(=O)(=O)O
Synonyms:
  • 1H-1,2,4-Triazole-1-ethanol, α-(2,4-difluorophenyl)-α-(1H-1,2,4-triazol-1-ylmethyl)-, methanesulfonate (1:1)
  • Fluconazole methanesulfonate
  • 1H-1,2,4-Triazole-1-ethanol, α-(2,4-difluorophenyl)-α-(1H-1,2,4-triazol-1-ylmethyl)-, monomethanesulfonate (salt)
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