1217766-70-5

1217766-70-5 structure
1217766-70-5 structure
  • Name: Ketoconazole-d3
  • Chemical Name: Ketoconazole-d3
  • CAS Number: 1217766-70-5
  • Molecular Formula: C26H25D3Cl2N4O4
  • Molecular Weight: 534.45
  • Catalog: Signaling Pathways Anti-infection Fungal
  • Create Date: 2021-06-03 16:04:32
  • Modify Date: 2024-01-06 13:25:44
  • (-)-Ketoconazole-d3 is deuterium labeled (-)-Ketoconazole. (-)-Ketoconazole ((-)-R 41400) is one of the enantiomer of Ketoconazole. Ketoconazole is a racemic mixture of two enantiomers, levoketoconazole ((2S,4R)-(−)-ketoconazole) and dextroketoconazole ((2R,4S)-(+)-ketoconazole).

Name Ketoconazole-d3
Synonyms Ethanone-2,2,2-d3, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-
Ketoconazole-d3
1-[4-(4-{[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl](2H3)ethanone
Description (-)-Ketoconazole-d3 is deuterium labeled (-)-Ketoconazole. (-)-Ketoconazole ((-)-R 41400) is one of the enantiomer of Ketoconazole. Ketoconazole is a racemic mixture of two enantiomers, levoketoconazole ((2S,4R)-(−)-ketoconazole) and dextroketoconazole ((2R,4S)-(+)-ketoconazole).
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;53(2):211-216.

Density 1.4±0.1 g/cm3
Boiling Point 753.4±60.0 °C at 760 mmHg
Molecular Formula C26H25D3Cl2N4O4
Molecular Weight 534.45
Flash Point 409.4±32.9 °C
Exact Mass 533.167603
LogP 3.55
Vapour Pressure 0.0±2.5 mmHg at 25°C
Index of Refraction 1.642