(1S,2R,4S,5R)-2-((S)-Hydroxy(quinolin-4-yl)methyl)-1-(2-((2-isopropylphenyl)amino)-2-oxoethyl)-5-vinylquinuclidin-1-ium bromide CAS 2798945-95-4

Purity 97%+In StockPharmaceutical Standards
CAS No.2798945-95-4
Molecular FormulaC30H36N3O2
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(1S,2R,4S,5R)-2-((S)-Hydroxy(quinolin-4-yl)methyl)-1-(2-((2-isopropylphenyl)amino)-2-oxoethyl)-5-vinylquinuclidin-1-ium bromide CAS 2798945-95-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 550.54 g/mol gives (1S,2R,4S,5R)-2-((S)-Hydroxy(quinolin-4-yl)methyl)-1-(2-((2-isopropylphenyl)amino)-2-oxoethyl)-5-vinylquinuclidin-1-ium bromide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

(1S,2R,4S,5R)-2-((S)-Hydroxy(quinolin-4-yl)methyl)-1-(2-((2-isopropylphenyl)amino)-2-oxoethyl)-5-vinylquinuclidin-1-ium bromide (CAS 2798945-95-4), molecular formula C30H36N3O2Br and molecular weight 550.54 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, (1S,2R,4S,5R)-2-((S)-Hydroxy(quinolin-4-yl)methyl)-1-(2-((2-isopropylphenyl)amino)-2-oxoethyl)-5-vinylquinuclidin-1-ium bromide (C30H36N3O2Br) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 550.54 g/mol, it falls into the moderately-high-molecular-weight range. 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.

CATO manufactures (1S,2R,4S,5R)-2-((S)-Hydroxy(quinolin-4-yl)methyl)-1-(2-((2-isopropylphenyl)amino)-2-oxoethyl)-5-vinylquinuclidin-1-ium bromide under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC30H36N3O2 Br
Molecular Weight550.54 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
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)14.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2003
Halogen ContentBr-containing
Nitrogen Atoms3

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