rac 8-Hydroxy Efavirenz-d4

For research use only. Not for therapeutic Use.

  • CAT Number: C000858
  • CAS Number: 1246812-30-5
  • Molecular Formula: C₁₄H₅D₄ClF₃NO₃
  • Molecular Weight: 335.7
  • Purity: ≥95%
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Rac 8-Hydroxy Efavirenz-d4 (Cat No.:C000858) is a racemic mixture of deuterium-labeled 8-hydroxy efavirenz, a derivative of the antiretroviral drug efavirenz. The “d4” notation indicates that four hydrogen atoms in the molecule are replaced with deuterium, a stable isotope of hydrogen. This labeling allows researchers to study the metabolism, pharmacokinetics, and interactions of efavirenz in biological systems accurately. Rac 8-Hydroxy Efavirenz-d4 is a valuable tool in pharmaceutical research, aiding in the understanding of drug effects, improving drug design, and advancing the treatment of HIV infections.


Catalog Number C000858
CAS Number 1246812-30-5
Synonyms

6-Chloro-4-(cyclopropyl-d4-ethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one; 8-Hydroxyefavirenz;

Molecular Formula C₁₄H₅D₄ClF₃NO₃
Purity ≥95%
Solubility DMSO (Slightly), Methanol (Slightly)
Appearance White to Off-White Solid
Storage -20°C
IUPAC Name 6-chloro-8-hydroxy-4-[2-(2,2,3,3-tetradeuteriocyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
InChI InChI=1S/C14H9ClF3NO3/c15-8-5-9-11(10(20)6-8)19-12(21)22-13(9,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)/i1D2,2D2
InChIKey OOVOMPCQLMFEDT-LNLMKGTHSA-N
SMILES C1CC1C#CC2(C3=C(C(=CC(=C3)Cl)O)NC(=O)O2)C(F)(F)F
Reference

Gorski, J., et al.: Biochem. Pharmacol., 47, 1643 (1994), Desta, Z., et al.: J. Pharmacol. Exp. Ther., 285, 428 (1998), Langmann, P., et al.: Eur. J. Med. Res., 7, 309(2002), Chang, T., et al.: Drug Metab. Dispos., 31, 7 (2003),

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