3-Methyl-2-((1-(3-(trimethylammonio)propyl)pyridin-4(1H)-ylidene)methyl)benzo[d]oxazol-3-ium iodide CAS 157199-56-9

Purity 97%+In StockPharmaceutical Standards
CAS No.157199-56-9
Molecular FormulaC20H27N3O
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Methyl-2-((1-(3-(trimethylammonio)propyl)pyridin-4(1H)-ylidene)methyl)benzo[d]oxazol-3-ium iodide CAS 157199-56-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 452.36 g/mol gives 3-Methyl-2-((1-(3-(trimethylammonio)propyl)pyridin-4(1H)-ylidene)methyl)benzo[d]oxazol-3-ium iodide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-Methyl-2-((1-(3-(trimethylammonio)propyl)pyridin-4(1H)-ylidene)methyl)benzo[d]oxazol-3-ium iodide (CAS 157199-56-9), molecular formula C20H27N3OI and molecular weight 452.36 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-Methyl-2-((1-(3-(trimethylammonio)propyl)pyridin-4(1H)-ylidene)methyl)benzo[d]oxazol-3-ium iodide (C20H27N3OI) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.5, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 452.36 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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.

As a certified reference material (CRM), 3-Methyl-2-((1-(3-(trimethylammonio)propyl)pyridin-4(1H)-ylidene)methyl)benzo[d]oxazol-3-ium iodide meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC20H27N3O 2*I
Molecular Weight452.36 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
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)8.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2001
Halogen ContentI-containing
Nitrogen Atoms3

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