Description

1-Propanamine, 3-(Dibenzb,Eoxepin-11(6H)-Ylidene-1,2,3,4-D4)-n-Methyl-, (E)- is a deuterated amine derivative featuring a dibenzoxepin core structure, making it a valuable isotopically labeled compound for advanced research and development. This specialty chemical is crucial for applications requiring precise molecular tracking and metabolic studies due to its stable isotope labeling. It is primarily utilized by pharmaceutical R&D teams, analytical laboratories, and academic researchers working on drug discovery, pharmacokinetics, and mechanistic studies.

Application

• Pharmaceutical Research & Development: Serves as a deuterium-labeled intermediate or reference standard in the synthesis and analysis of novel active pharmaceutical ingredients (APIs).
• Metabolic Pathway Tracing: Used in mass spectrometry-based studies to track drug metabolism and distribution within biological systems.
• Analytical Reference Standard: Employed as a high-purity internal standard for quantitative analysis via LC-MS or GC-MS, ensuring accurate assay results.
• Mechanistic Studies: Facilitates the investigation of reaction mechanisms and biochemical pathways in medicinal chemistry.
• Isotope Effect Research: Enables the study of kinetic isotope effects (KIE) in chemical and enzymatic reactions.
• Preclinical Development: Supports ADME (Absorption, Distribution, Metabolism, Excretion) profiling of candidate drug molecules.

Basic Information

Product Name	1-Propanamine, 3-(Dibenzb,Eoxepin-11(6H)-Ylidene-1,2,3,4-D4)-n-Methyl-, (E)-
CAS No.	131061-02-4
Molecular Formula	C19H17D4NO
Molecular Weight	283.41 g/mol (approx.)
Synonyms	(E)-3-(Dibenz[b,e]oxepin-11(6H)-ylidene-1,2,3,4-d4)-N-methylpropan-1-amine; N-Methyl-3-[(E)-dibenz[b,e]oxepin-11(6H)-ylidene-1,2,3,4-d4]propan-1-amine; Deuterated Doxepin Analog; 1-Propanamine, 3-(6H-dibenz[b,e]oxepin-11-ylidene-d4)-N-methyl-, (E)-; Labeled Tricyclic Amine; Isotopic Internal Standard 131061-02-4.
EINECS	Contact for details

Quality Control

Our production of this high-value specialty chemical adheres to stringent quality protocols. Each batch is characterized and tested to ensure high isotopic purity and chemical identity, with comprehensive analysis via NMR, HPLC, and mass spectrometry. Certificates of Analysis (COA) detailing isotopic enrichment, chemical purity, and analytical results are provided to support your research integrity and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at controlled room temperature (typically 15-25°C). This material is light-sensitive (store away from light). For long-term stability, consider storage under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95%
Isotopic Purity (D-content)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Complies with ICH guidelines

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