CAS 1127226-56-5 Tiotropium-[d3] Bromide

General Information
Catalog: BLP-012621
CAS: 1127226-56-5
Molecular Formula: C19H19D3BrNO4S2
Molecular Weight: 475.43

General Information

Catalog: BLP-012621

CAS: 1127226-56-5

Molecular Formula: C19H19D3BrNO4S2

Molecular Weight: 475.43

Chemical Structure

Description	Tiotropium-[d3] Bromide is the labelled analogue of Tiotropium bromide. Tiotropium bromide is an anticholinergic bronchodilator used in the management of chronic obstructive pulmonary disease.
Synonyms	Tiotropium D3 Bromide; (1α,2β,4β,5α,7β)-7-[(2-Hydroxy-2,2-di-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane-d3 Bromide
IUPAC Name	[9-methyl-9-(trideuteriomethyl)-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;bromide
Related CAS	136310-93-5 (unlabelled)
Canonical SMILES	C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-]
InChI	InChI=1S/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/i1D3;
InChI Key	DQHNAVOVODVIMG-NIIDSAIPSA-M
Melting Point	>184°C (dec.)
Purity	98% by HPLC; 99% atom D
Solubility	Soluble in Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C

Tiotropium-[d3] Bromide, a deuterated drug used primarily in respiratory medicine, has various key applications:

Pharmacokinetic Studies: Tiotropium-[d3] Bromide is utilized in pharmacokinetic studies to track the drug's absorption, distribution, metabolism, and excretion within the body. The deuterated form enables more precise measurement using mass spectrometry, leading to a better understanding and optimization of dosage regimens.

Biomarker Development: Researchers utilize Tiotropium-[d3] Bromide as an internal standard in the development of biomarkers for respiratory conditions. Its stable isotope composition assists in accurately quantifying endogenous metabolites and therapeutic agents, enhancing the reliability of biomarker assays for early disease diagnosis and monitoring.

Respiratory Disease Treatment Research: Tiotropium-[d3] Bromide is crucial in preclinical and clinical research focused on studying the efficacy and safety of tiotropium-based medications in treating chronic obstructive pulmonary disease (COPD) and asthma. The deuterium labeling aids in differentiating the administered drug from natural compounds in the body, facilitating detailed pharmacodynamic analysis and efficacy assessments.

Drug Interaction Studies: Tiotropium-[d3] Bromide plays a pivotal role in exploring drug-drug interactions by serving as a tracer in studies involving combination therapies. It enables scientists to examine how tiotropium interacts with other medications metabolically and pharmacokinetically, ensuring the safety and effectiveness of combined therapeutic approaches.