56588-54-6

56588-54-6 structure
56588-54-6 structure
  • Name: Equilenin-4,16,16-d3
  • Chemical Name: (13S,14S)-4,16,16-trideuterio-3-hydroxy-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-17-one
  • CAS Number: 56588-54-6
  • Molecular Formula: C18H15D3O2
  • Molecular Weight: 269.35
  • Create Date: 2018-06-23 19:03:38
  • Modify Date: 2024-02-25 17:44:10
  • Equilenin-4,16,16-d3 is the deuterium labeled Equilenin-4,16,16.

Name (13S,14S)-4,16,16-trideuterio-3-hydroxy-13-methyl-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-17-one
Synonyms 3-Hydroxy(4,16,16-H)estra-1(10),2,4,6,8-pentaen-17-one
4,16,16-Trideuteroequilenin
Equilenin-d3
Estra-1(10),2,4,6,8-pentaen-17-one-4,16,16-d, 3-hydroxy-
E 400-d3
Equilenine-d3
d-Equilenin-d3
3-Hydroxyestra-1,3,5,7,9-pentaen-17-one-d3
Description Equilenin-4,16,16-d3 is the deuterium labeled Equilenin-4,16,16.
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;53(2):211-216.

Density 1.2±0.1 g/cm3
Boiling Point 472.6±45.0 °C at 760 mmHg
Molecular Formula C18H15D3O2
Molecular Weight 269.35
Flash Point 200.9±21.3 °C
Exact Mass 269.149506
PSA 37.30000
LogP 3.76
Vapour Pressure 0.0±1.2 mmHg at 25°C
Index of Refraction 1.663