N-(9-(2-Carboxy-5-isothiocyanatophenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethylethanaminium chloride CAS 122766-61-4

Purity 97%+In StockPharmaceutical Standards
CAS No.122766-61-4
Molecular FormulaC29H30N3O3S
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

N-(9-(2-Carboxy-5-isothiocyanatophenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethylethanaminium chloride CAS 122766-61-4 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including N-(9-(2-Carboxy-5-isothiocyanatophenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethylethanaminium chloride.

CATO supplies N-(9-(2-Carboxy-5-isothiocyanatophenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethylethanaminium chloride (CAS 122766-61-4), a certified reference material (molecular formula C29H30N3O3SCl, MW 536.09 g/mol) for analytical method development and quality control.

The molecular framework of N-(9-(2-Carboxy-5-isothiocyanatophenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethylethanaminium chloride (C29H30N3O3SCl) is characterized by a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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), N-(9-(2-Carboxy-5-isothiocyanatophenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethylethanaminium chloride 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 FormulaC29H30N3O3S Cl
Molecular Weight536.09 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)16.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1992
Halogen ContentCl-containing
Nitrogen Atoms3
Sulfur Atoms1

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