1398066-06-2

1398066-06-2 structure
1398066-06-2 structure
  • Name: 2-((1H-1,2,4-Triazol-1-yl)methyl)-4-(4-chlorophenyl)-2-phenylbutanenitrile-d5
  • Chemical Name: 4-(4-Chlorophenyl)-2-(2H5)phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile
  • CAS Number: 1398066-06-2
  • Molecular Formula: C19H12D5ClN4
  • Molecular Weight: 341.849
  • Catalog: Research Areas Others
  • Create Date: 2018-04-09 13:34:30
  • Modify Date: 2023-02-04 13:57:36
  • 2-((1H-1,2,4-Triazol-1-yl)methyl)-4-(4-chlorophenyl)-2-phenylbutanenitrile-d5 is the deuterium labeled 2-((1H-1,2,4-triazol-1-yl)methyl)-4-(4-chlorophenyl)-2-phenylbutanenitrile[1].

Name 4-(4-Chlorophenyl)-2-(2H5)phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile
Synonyms 1H-1,2,4-Triazole-1-propanenitrile, α-[2-(4-chlorophenyl)ethyl]-α-(phenyl-d)-
4-(4-Chlorophenyl)-2-(H)phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile
Description 2-((1H-1,2,4-Triazol-1-yl)methyl)-4-(4-chlorophenyl)-2-phenylbutanenitrile-d5 is the deuterium labeled 2-((1H-1,2,4-triazol-1-yl)methyl)-4-(4-chlorophenyl)-2-phenylbutanenitrile[1].
Related Catalog
In Vitro 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].
References

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

Density 1.2±0.1 g/cm3
Boiling Point 546.3±60.0 °C at 760 mmHg
Molecular Formula C19H12D5ClN4
Molecular Weight 341.849
Flash Point 284.2±32.9 °C
Exact Mass 341.145569
LogP 3.35
Vapour Pressure 0.0±1.5 mmHg at 25°C
Index of Refraction 1.617