CAS 1310012-16-8 Bisoprolol-[d7] hemifumarate

General Information
Catalog: BLP-013579
CAS: 1310012-16-8
Molecular Formula: C20H26D7NO6
Molecular Weight: 390.52

General Information

Catalog: BLP-013579

CAS: 1310012-16-8

Molecular Formula: C20H26D7NO6

Molecular Weight: 390.52

Chemical Structure

Description	Bisoprolol-[d7] hemifumarate is the deuterium labelled form of Bisoprolol Hemifumarate. Bisoprolol Hemifumarate is an antihypertensive used as a selective β-adrenergic blocker.
Synonyms	1-[4-[[2-(1-Methylethoxy)ethoxy]methyl]phenoxy]-3-[(1-methylethyl)amino]-2-propanol-d7 (2E)-2-butenedioate (2:1) (salt)
IUPAC Name	1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol
Related CAS	104344-23-2 (unlabelled)
Canonical SMILES	CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O
InChI	InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3/i1D3,2D3,14D
InChI Key	VHYCDWMUTMEGQY-HSNISVEUSA-N
Melting Point	100-102°C
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance	White to Off-white Solid

Bisoprolol-[d7] hemifumarate is a deuterium-labeled beta-blocker used primarily for analytical and pharmacokinetic studies. Here are some key applications of Bisoprolol-[d7] hemifumarate:

Pharmacokinetic Studies: Bisoprolol-[d7] hemifumarate is extensively used in pharmacokinetic studies to understand the absorption, distribution, metabolism, and excretion of Bisoprolol. By using this deuterium-labeled compound, researchers can accurately track the drug’s behavior in the body. This helps in optimizing dosing regimens and improving overall drug efficacy.

Analytical Method Development: In the field of analytical chemistry, Bisoprolol-[d7] hemifumarate is employed as an internal standard. It serves as a reference for the quantification of Bisoprolol in various biological samples, ensuring high accuracy and precision. This standardization is critical for the validation of analytical methods and accurate measurement of drug concentrations in pharmacological studies.

Metabolomics: Bisoprolol-[d7] hemifumarate aids in metabolomic studies by serving as a tracer to study drug metabolism. By incorporating deuterium-labeled compounds, researchers can differentiate between the parent drug and metabolites using mass spectrometry. This distinction is crucial for understanding metabolic pathways and identifying potential drug interactions.

Drug Interaction Studies: In drug interaction research, Bisoprolol-[d7] hemifumarate is used to investigate how other substances can affect Bisoprolol’s pharmacokinetics. Researchers can conduct in vitro and in vivo experiments to determine the impact of co-administered drugs or dietary components on Bisoprolol metabolism. This information is vital for predicting potential drug interactions and ensuring patient safety.