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Ketoconazole-d3

Names

[ CAS No. ]:
1217766-70-5

[ Name ]:
Ketoconazole-d3

[Synonym ]:
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

Biological Activity

[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]:

Research Areas >> Infection
Signaling Pathways >> Anti-infection >> Fungal
Research Areas >> Inflammation/Immunology

[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.

Chemical & Physical Properties

[ 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

Related Compounds