Introduction：Basic information about CAS 1219806-03-7|Monoethyl phthalate-d4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Monoethyl phthalate-d4 |
|---|
| CAS Number | 1219806-03-7 | Molecular Weight | 198.20900 |
|---|
| Density | / | Boiling Point | / |
|---|
| Molecular Formula | C10H6D4O4 | Melting Point | / |
|---|
| MSDS | / | Flash Point | / |
|---|
Names
| Name | 2,3,4,5-tetradeuterio-6-ethoxycarbonylbenzoic acid |
|---|
| Synonym | More Synonyms |
|---|
Monoethyl phthalate-d4 BiologicalActivity
| Description | Monoethyl phthalate-d4 is the deuterium labeled Monoethyl phthalate[1]. Monoethyl phthalate is a metabolite of diethyl phthalate. Monoethyl phthalate acts as a urinary biomarker of phthalates exposure indicating the risks of thyroid cancer and benign nodule[2][3]. |
|---|
| Related Catalog | Research Areas >>CancerSignaling 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]. Chong Liu, et al. Urinary biomarkers of phthalates exposure and risks of thyroid cancer and benign nodule. J Hazard Mater. 2020 Feb 5;383:121189. [3]. Celal Güven, et al. Low dose monoethyl phthalate (MEP) exposure triggers proliferation by activating PDX-1 at 1.1B4 human pancreatic beta cells. Food Chem Toxicol. 2016 Jul;93:41-50. |
|---|
Chemical & Physical Properties
| Molecular Formula | C10H6D4O4 |
|---|
| Molecular Weight | 198.20900 |
|---|
| Exact Mass | 198.08300 |
|---|
| PSA | 63.60000 |
|---|
| LogP | 1.56150 |
|---|
| InChIKey | YWWHKOHZGJFMIE-LNFUJOGGSA-N |
|---|
| SMILES | CCOC(=O)c1ccccc1C(=O)O |
|---|
Synonyms
| 1,2-(Benzene-d4)dicarboxylic Acid Monoethyl Ester |
| 1,2-(Benzene-d4)dicarboxylic Acid 1-Ethyl Ester |
| Ethyl 2-Carboxybenzoate-d4 |
| Monoethyl Phthalate-d4 |
| Phthalic Acid-d4 Monoethyl Ester |
| MEP-d4 |
