CAS 1135070-98-2 Ethyl Glucuronide-[d5]

General Information
Catalog: BLP-008310
CAS: 1135070-98-2
Molecular Formula: C8H9D5O7
Molecular Weight: 227.22

General Information

Catalog: BLP-008310

CAS: 1135070-98-2

Molecular Formula: C8H9D5O7

Molecular Weight: 227.22

Chemical Structure

Synonyms	[D5]-Ethyl-beta-D-Glucuronide; Ethyl-d5 β-D-glucuronide; 6-Ethoxy-d5-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic Acid
IUPAC Name	(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(1,1,2,2,2-pentadeuterioethoxy)oxane-2-carboxylic acid
Related CAS	17685-04-0 (unlabelled)
Canonical SMILES	O[C@@H]1[C@@H](O)[C@H](OC([2H])([2H])C([2H])([2H])[2H])O[C@H](C(O)=O)[C@H]1O
InChI	InChI=1S/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13)/t3-,4-,5+,6-,8+/m0/s1/i1D3,2D2
InChI Key	IWJBVMJWSPZNJH-XTJTXKPGSA-N
Melting Point	145-147°C (dec.)
Purity	98% by CP; 98% atom D
Solubility	Soluble in Methanol, Water
Appearance	White to Off-white Solid
Storage	Store at -20°C

Ethyl Glucuronide-[d5], a stable isotope-labeled compound, finds primary applications in analytical chemistry and biomedical research. Here are the key applications of Ethyl Glucuronide-[d5]:

Alcohol Consumption Monitoring: Widely utilized as an internal standard for quantifying ethyl glucuronide, a direct biomarker of alcohol intake, Ethyl Glucuronide-[d5] plays a pivotal role in analytical assays. Laboratories integrating this compound can achieve exceptionally precise and reliable measurements of alcohol consumption. This application is particularly invaluable in clinical contexts for monitoring abstinence in individuals undergoing treatment for alcohol dependency.

Forensic Toxicology: In the realm of forensic toxicology, Ethyl Glucuronide-[d5] emerges as a potent tool for detecting alcohol usage in diverse biological samples such as urine, blood, and hair. Its incorporation ensures accurate quantification in intricate matrices, facilitating legal investigations and workplace screening. The stability and specificity of this labeled compound are indispensable for confirming recent alcohol consumption even post-elimination of ethanol from the system.

Method Development and Validation: Crucial for establishing and validating analytical methodologies for ethyl glucuronide detection, Ethyl Glucuronide-[d5] serves as a linchpin internal standard. It aids in instrument calibration and assay validation, ensuring accuracy and reproducibility of results. Laboratories rely on this compound to confirm the reliability and compliance of their methodologies with regulatory standards.

Pharmacokinetic Studies: Scientists leverage Ethyl Glucuronide-[d5] to explore the pharmacokinetics of ethanol metabolism within the body. Tracking this labeled compound provides insights into the formation, distribution, and elimination of ethyl glucuronide, shedding light on alcohol metabolism dynamics. Such studies are vital for comprehending the intricacies of alcohol processing variability among individuals.