CAS 83719-41-9|4-Methylcatechol-d3

Introduction：Basic information about CAS 83719-41-9|4-Methylcatechol-d3, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 4-Methylcatechol-d3 BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	4-Methylcatechol-d3
CAS Number	83719-41-9	Molecular Weight	127.15600
Density	/	Boiling Point	/
Molecular Formula	C₇H₅D₃O₂	Melting Point	/
MSDS	/	Flash Point	/

Names

Name	4-methyl-d3-catechol
Synonym	More Synonyms

4-Methylcatechol-d3 BiologicalActivity

Description	4-Methylcatechol-d3 is the deuterium labeled 4-Methylcatechol[1]. 4-Methylcatechol, a metabolite of p-toluate, is a substrate as well as a suicide inhibitor of Catechol 2,3-Dioxygenase[2].
Related Catalog	Research Areas >>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]. Okuta A, et al. Construction of chimeric catechol 2,3-dioxygenase exhibiting improved activity against the suicide inhibitor 4-methylcatechol. Appl Environ Microbiol. 2004 Mar;70(3):1804-10.

Chemical & Physical Properties

Molecular Formula	C₇H₅D₃O₂
Molecular Weight	127.15600
Exact Mass	127.07100
PSA	40.46000
LogP	1.40620
InChIKey	ZBCATMYQYDCTIZ-NRUYWUNFSA-N
SMILES	Cc1ccc(O)c(O)c1

Synonyms

guaiacol-d3

2,2,2-trideuterio-1-p-tolyl-ethanone

d3-4-methylcatechol

d33-bromohexadecane

methyl-d3 p-tolyl ketone

2,2,2-Trideuterio-1-p-tolyl-aethanon

d3-4-methylacetophenone

[D33]-hexadecyl bromide

p-Tolyl-(D3)-methyl-keton

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