(2S,3S)-[2-[3-(Acetoxy)-3,4-dihydro-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-5(2H)-yl]ethyl]methyl-d3-carbamic Acid 1-Chloroethyl Ester CAS 1246812-21-4

Purity 97%+In StockPharmaceutical Standards
CAS No.1246812-21-4
Molecular Formula-
Molecular Weight510.02 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(2S,3S)-[2-[3-(Acetoxy)-3,4-dihydro-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-5(2H)-yl]ethyl]methyl-d3-carbamic Acid 1-Chloroethyl Ester CAS 1246812-21-4 chemical structure

Description

The occurrence of (2S,3S)-[2-[3-(Acetoxy)-3,4-dihydro-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-5(2H)-yl]ethyl]methyl-d3-carbamic Acid 1-Chloroethyl Ester is closely related to deuterium isotope labeling, a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

(2S,3S)-[2-[3-(Acetoxy)-3,4-dihydro-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-5(2H)-yl]ethyl]methyl-d3-carbamic Acid 1-Chloroethyl Ester (CAS 1246812-21-4) is a high-purity analytical reference standard with the molecular formula C24H24D3ClN2O6S and a molecular weight of 510.02 g/mol.

(2S,3S)-[2-[3-(Acetoxy)-3,4-dihydro-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-5(2H)-yl]ethyl]methyl-d3-carbamic Acid 1-Chloroethyl Ester (C24H24D3ClN2O6S) contains deuterium isotope labeling, a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

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.

Physical & Chemical Properties

Molecular FormulaC24H24D3ClN2O6S
Molecular Weight510.02 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)13.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentCl-containing
Nitrogen Atoms2
Sulfur Atoms1

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