(1S,2S,4S,5R)-2-((S)-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)(6-methoxyquinolin-4-yl)methyl)-1-(3,5-di-tert-butylbenzyl)-5-vinylquinuclidin-1-ium bromide CAS 2170273-28-4

Purity 97%+In StockPharmaceutical Standards
CAS No.2170273-28-4
Molecular FormulaC44H51F6N4OS
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(1S,2S,4S,5R)-2-((S)-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)(6-methoxyquinolin-4-yl)methyl)-1-(3,5-di-tert-butylbenzyl)-5-vinylquinuclidin-1-ium bromide CAS 2170273-28-4 chemical structure

Description

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

(1S,2S,4S,5R)-2-((S)-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)(6-methoxyquinolin-4-yl)methyl)-1-(3,5-di-tert-butylbenzyl)-5-vinylquinuclidin-1-ium bromide (CAS 2170273-28-4) is a high-purity analytical reference standard with the molecular formula C44H51F6N4OSBr and a molecular weight of 877.87 g/mol.

Based on its molecular formula C44H51F6N4OSBr, (1S,2S,4S,5R)-2-((S)-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)(6-methoxyquinolin-4-yl)methyl)-1-(3,5-di-tert-butylbenzyl)-5-vinylquinuclidin-1-ium bromide contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 877.87 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

Physical & Chemical Properties

Molecular FormulaC44H51F6N4OS Br
Molecular Weight877.87 g/mol
Purity97%+
StorageStore at room temperature, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)18.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1998
Halogen ContentF/Br-containing
Nitrogen Atoms4
Sulfur Atoms1

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