1219802-26-2

1219802-26-2 structure
1219802-26-2 structure
  • Name: Monoisobutyl phthalic acid-d4
  • Chemical Name: Monoisobutyl Phthalate-d4
  • CAS Number: 1219802-26-2
  • Molecular Formula: C12H10D4O4
  • Molecular Weight: 226.26200
  • Catalog: Research Areas Metabolic Disease
  • Create Date: 2016-11-28 01:51:30
  • Modify Date: 2024-01-02 18:30:08
  • Monoisobutyl phthalic acid-d4 is the deuterium labeled Monoisobutyl phthalic acid[1]. Monoisobutyl phthalic acid is a phthalate metabolite that is in human semen and in meconium[2].

Name Monoisobutyl Phthalate-d4
Synonyms 2,3,4,5-tetradeuterio-6-(2-methylpropoxycarbonyl)benzoic acid
Description Monoisobutyl phthalic acid-d4 is the deuterium labeled Monoisobutyl phthalic acid[1]. Monoisobutyl phthalic acid is a phthalate metabolite that is in human semen and in meconium[2].
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.  

[2]. Kato K, et al. Quantifying phthalate metabolites in human meconium and semen using automated off-line solid-phase extraction coupled with on-line SPE and isotope-dilution high-performance liquid chromatography--tandem mass spectrometry. Anal Chem. 2006 Sep 15;78(18):6651-5.  

Molecular Formula C12H10D4O4
Molecular Weight 226.26200
Exact Mass 226.11400
PSA 63.60000
LogP 2.19760