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Chlorotoluron-d6

Names

[ CAS No. ]:
1219803-48-1

[ Name ]:
Chlorotoluron-d6

[Synonym ]:
Urea, N'-(3-chloro-4-methylphenyl)-N,N-dimethyl-d-
3-(3-chloro-4-methylphenyl)-1,1-bis(trideuteriomethyl)urea
3-(3-Chloro-4-methylphenyl)-1,1-bis[(H)methyl]urea

Biological Activity

[Description]:

Chlorotoluron-d6 is the deuterium labeled Chlorotoluron[1]. Chlorotoluron (Chlortoluron) is a substituted phenylurea herbicide, is widely used for selective weed control in cereals crops and is an environmental pollutant[2].

[Related Catalog]:

Research Areas >> Others
Signaling Pathways >> Others >> Others

[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]. Z Mehmood, et al. Metabolism of the Herbicide Chlortoluron by Human Cytochrome P450 3A4. Chemosphere. 1995 Dec;31(11-12):4515-29.  

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
367.8±42.0 °C at 760 mmHg

[ Molecular Formula ]:
C10H7ClD6N2O

[ Molecular Weight ]:
218.713

[ Flash Point ]:
176.2±27.9 °C

[ Exact Mass ]:
218.109299

[ PSA ]:
35.83000

[ LogP ]:
2.46

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.586

Related Compounds