Description

5-(1,1,2,2,2-Pentadeuterioethyl)-5-Pentan-2-Yl-2-Sulfanylidene-1,3-Diazinane-4,6-Dione is a deuterated derivative of a barbiturate-class thiobarbituric acid compound, offering a stable isotopic label for advanced research and analytical applications. This compound is valued for its utility as a key internal standard or tracer molecule in sophisticated mass spectrometry and metabolic studies, ensuring high accuracy and reproducibility. It is primarily required by pharmaceutical R&D laboratories, forensic toxicology units, and analytical chemistry service providers engaged in pharmacokinetics, drug metabolism, and isotope dilution analysis.

Application

• Internal Standard for LC-MS/MS: Used as a deuterium-labeled internal standard for the precise quantification of its non-deuterated counterpart or related thiobarbiturates in complex biological matrices like plasma, serum, and urine.
• Metabolic Pathway Tracing: Serves as a stable isotope tracer in drug metabolism and pharmacokinetics (DMPK) studies to elucidate metabolic pathways and bioavailability.
• Forensic and Clinical Toxicology: Employed in method development and validation for the accurate detection and confirmation of barbiturate-class substances.
• Pharmaceutical Reference Standard: Acts as a high-purity certified reference material (CRM) for quality control and analytical method calibration in drug development.
• Isotope Dilution Analysis: Critical for high-precision analytical techniques where isotope dilution is required to correct for sample loss and matrix effects.
• Research Chemical: Utilized in academic and industrial research exploring the structure-activity relationships (SAR) of sedative-hypnotic agents.

Basic Information

Product Name	5-(1,1,2,2,2-Pentadeuterioethyl)-5-Pentan-2-Yl-2-Sulfanylidene-1,3-Diazinane-4,6-Dione
CAS No.	1189485-63-9
Molecular Formula	C11H13D5N2O2S
Molecular Weight	243.35 g/mol (for the deuterated form)
Synonyms	5-(1,1,2,2,2-Pentadeuteroethyl)-5-sec-pentyl-2-thiobarbituric acid; Deuterated Thiopental analog; 5-(Pentadeuterioethyl)-5-(1-methylbutyl)-2-thiobarbituric acid; d5-Thiobarbiturate; 5-Ethyl-d5-5-(1-methylbutyl)-2-thiobarbituric acid; 1189485-63-9; Deuterated Thiobarbiturate
EINECS	Contact for details

Quality Control

Our deuterated compounds are produced under strict quality management systems to ensure isotopic purity and chemical integrity. Each batch undergoes comprehensive analysis including NMR (¹H, ¹³C) for deuterium incorporation verification and HPLC for chemical purity assessment. Certificates of Analysis (COA) detailing isotopic enrichment (typically >98 atom % D), chemical purity (typically >95%), and analytical data are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed in a desiccated environment to prevent degradation. For long-term storage, consider storing under an inert atmosphere such as argon or nitrogen.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure (Deuterium incorporation verified)
Purity (HPLC)	≥ 95.0%
Isotopic Purity (Atom % D)	≥ 98% (by MS or NMR)
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.