2-((1H-1,2,4-Triazol-1-yl)methyl)-4-(4-chlorophenyl)-2-phenylbutanenitrile-d5

For research use only. Not for therapeutic Use.

  • CAT Number: I041454
  • CAS Number: 1398066-06-2
  • Molecular Formula: C19H12D5ClN4
  • Molecular Weight: 341.85
  • Purity: ≥95%
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2-((1H-1,2,4-Triazol-1-yl)methyl)-4-(4-chlorophenyl)-2-phenylbutanenitrile-d5(Cat No.:I041454)is a deuterated compound where five hydrogen atoms are replaced with deuterium. This compound features a triazole ring, a chlorophenyl group, and a phenylbutanenitrile moiety, making it a useful target for pharmaceutical and biochemical research. The deuterium substitution enhances its utility in nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry, providing higher accuracy in structural analysis and reaction mechanism studies. It is used in studies of drug interactions, metabolic pathways, and synthesis reactions, offering improved analytical sensitivity without altering the compound’s chemical behavior.


CAS Number 1398066-06-2
Synonyms

4-(4-chlorophenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile

Molecular Formula C19H12D5ClN4
Purity ≥95%
IUPAC Name 4-(4-chlorophenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
InChI InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2/i1D,2D,3D,4D,5D
InChIKey RQDJADAKIFFEKQ-RALIUCGRSA-N
SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)C#N)[2H])[2H]

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