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ALT-711 - CAS 341028-37-3

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ALT-711 (Alagebrium Chloride) | Molecular formula: C13H14ClNOS | Molecular weight: 267.77 g/mol.

Product informatie

ALT-711 (Alagebrium Chloride) – CAS 341028-37-3

ALT-711 (Alagebrium Chloride) is supplied by Rexar as a research-grade chemical reference material for analytical chemistry, compound identification and laboratory comparison workflows. Chemically identified as 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenylethanone chloride, this thiazolium salt combines a substituted thiazolium ring, a phenyl-containing ketone region and a chloride counterion and is provided exclusively for controlled research environments requiring verified chemical identity, consistent structural documentation and reproducible analytical comparison.

Research-grade material distributed by Rexar within the European Union.

ALT-711 (Alagebrium Chloride) (CAS 341028-37-3) is supplied in sealed laboratory packaging to support traceability, storage integrity and laboratory handling procedures.

Rexar Technical Compound Datasheet (PDF)

Safety Data Sheet (SDS)

Additional public reference

Molecular structure data and selected physicochemical properties can be consulted via: ALT-711 (Alagebrium Chloride) on PubChem

Comprehensive structural overview

ALT-711 (Alagebrium Chloride) is an organic thiazolium salt with the molecular formula C13H14ClNOS. Its molecular architecture consists of a positively charged substituted thiazolium ring connected through a methylene unit to an aromatic ketone region, together with a chloride counterion.

The structure contains one nitrogen atom, one oxygen atom, one sulfur atom and one chloride counterion. The aromatic phenyl ring, carbonyl functionality, heteroaromatic thiazolium system and ionic character provide distinctive structural features suitable for chromatographic, mass-spectrometric and spectroscopic characterisation.

Thiazolium ring architecture

A defining structural feature of ALT-711 is the presence of a substituted thiazolium ring. This five-membered heteroaromatic system contains both nitrogen and sulfur and carries a formal positive charge within the molecular structure.

Two methyl substituents are attached to the thiazolium framework. Together with the heteroatoms and cationic character of the ring, these structural elements provide characteristic chemical environments that may support comparative analytical identification.

Aromatic ketone architecture

ALT-711 contains a phenyl-substituted ketone region connected to the thiazolium system through a methylene linker. The carbonyl group introduces a strongly polar structural feature adjacent to the aromatic phenyl ring.

This aromatic ketone region provides distinguishable spectroscopic and chromatographic characteristics and may contribute to characteristic fragmentation pathways during mass-spectrometric analysis.

Functional group composition

The molecular formula C13H14ClNOS reflects a structure containing carbon, hydrogen, chlorine, nitrogen, oxygen and sulfur distributed across several chemically distinct structural regions.

  • One aromatic phenyl ring
  • One substituted thiazolium ring
  • One ketone carbonyl functionality
  • One thiazolium nitrogen atom
  • One sulfur atom within the heterocyclic ring
  • Two methyl substituents
  • One methylene linker
  • One chloride counterion

The combination of aromatic, carbonyl, heterocyclic and ionic structural elements provides multiple analytical markers for comparative compound identification.

Carbonyl functionality

ALT-711 contains a ketone carbonyl group positioned between the phenyl ring and the methylene-linked thiazolium region. This functionality contributes significantly to the local polarity and spectroscopic characteristics of the molecule.

The carbonyl group may provide a prominent infrared absorption feature and a distinguishable carbon resonance during carbon NMR analysis. Its position adjacent to the aromatic ring may also influence electronic distribution within this region of the structure.

Heteroaromatic nitrogen environment

The nitrogen atom of ALT-711 is incorporated within the positively charged thiazolium ring. This creates a chemically distinct nitrogen environment compared with neutral amine or amide functionalities.

The permanent cationic character associated with the thiazolium system is relevant to ionisation behaviour, chromatographic retention and interactions with polar solvents and stationary phases.

Sulfur-containing heterocycle

The thiazolium ring contains one sulfur atom as part of the five-membered heteroaromatic framework. The sulfur atom contributes to the electronic and structural characteristics of the ring system.

Its presence provides an additional elemental marker that may assist compound identification through accurate-mass analysis, elemental composition assessment and comparison with authenticated reference data.

Chloride counterion

ALT-711 is supplied as the chloride salt. The positively charged thiazolium component is therefore accompanied by a chloride counterion, producing an overall electrically neutral salt composition.

The presence of the chloride counterion distinguishes Alagebrium Chloride from alternative counterion forms of the same cationic molecular framework and should be considered during molecular-weight verification and analytical method development.

Methyl substituent architecture

Two methyl groups are attached to adjacent positions of the thiazolium ring. These small aliphatic substituents create characteristic proton and carbon environments while modifying the substitution pattern of the heteroaromatic system.

The methyl groups may provide readily distinguishable resonances during proton and carbon NMR analysis and can contribute to structural verification.

Methylene linker characteristics

A methylene unit connects the thiazolium nitrogen region with the carbonyl-containing aromatic portion of the molecule. This linker separates the cationic heterocycle from the phenyl ketone region while maintaining a compact molecular architecture.

The methylene environment may provide a distinguishable proton and carbon NMR signal and may participate in characteristic fragmentation pathways during mass-spectrometric analysis.

Molecular polarity and ionic character

ALT-711 combines a hydrophobic aromatic phenyl region with a polar carbonyl group and a permanently charged thiazolium system. This produces a mixed structural character involving aromatic surface area together with pronounced ionic and polar functionality.

This balance is relevant when evaluating solvent selection, sample preparation, chromatographic conditions and ionisation techniques.

Conformational characteristics

The phenyl ring and thiazolium ring provide relatively rigid structural regions, while the intervening carbonyl and methylene segment permits limited conformational variation between these molecular components.

No defined tetrahedral stereogenic centre is present in the standard molecular representation of Alagebrium Chloride.

Chromatographic behaviour

Under liquid chromatographic conditions, retention may be influenced by the aromatic phenyl ring, permanently charged thiazolium system, carbonyl functionality, heteroatoms and overall balance between hydrophobic and ionic structural regions.

Retention time and peak shape may vary according to mobile-phase composition, ionic strength, pH, stationary-phase chemistry, temperature and sample concentration.

Liquid chromatography considerations

LC-based methods may be used for qualitative identity comparison, purity profiling and retention-time verification of ALT-711 reference material.

Because the compound contains both an aromatic hydrophobic region and a permanently charged heterocyclic system, optimisation of mobile-phase composition and stationary-phase chemistry may be required to obtain suitable retention and peak symmetry.

Mass spectrometric considerations

With a molecular weight of approximately 267.77 g/mol for the chloride salt, ALT-711 falls within a mass range suitable for routine LC-MS analysis. Its ionic thiazolium structure may support efficient detection under appropriate mass-spectrometric conditions.

Mass-spectrometric interpretation should account for the ionic nature of the compound and the presence of the chloride counterion. Fragmentation may involve the phenyl ketone region, methylene linker, methyl substituents or thiazolium framework and may support structural confirmation when compared with authenticated reference data.

NMR spectroscopic considerations

Proton NMR analysis may show characteristic resonances associated with the aromatic phenyl protons, thiazolium-associated proton environment, methyl substituents and methylene linker.

Carbon NMR analysis may provide distinguishable signals corresponding to aromatic carbons, heterocyclic carbons, methyl carbons, the methylene carbon and the ketone carbonyl carbon.

Infrared spectroscopic considerations

Infrared analysis may reveal characteristic absorption features associated with the ketone carbonyl, aromatic C-H bonds, aliphatic C-H bonds and structural vibrations associated with the heteroaromatic ring system.

The ketone carbonyl may provide a prominent absorption feature that can assist structural comparison when evaluated against an authenticated reference spectrum.

Ultraviolet detection considerations

The aromatic phenyl ring and heteroaromatic thiazolium framework of ALT-711 may support ultraviolet-based chromatographic detection. Suitable detection wavelengths should be selected according to measured absorbance characteristics and validated laboratory methods.

The aromatic and heteroaromatic regions are expected to contribute substantially to the electronic absorption profile of the compound.

Heteroaromatic chromophore considerations

The thiazolium ring forms an electronically distinct heteroaromatic structural element within ALT-711. Combined with the phenyl-containing carbonyl region, this architecture provides multiple structural and optical markers for comparative analytical identification.

The distribution of aromatic, heteroaromatic and carbonyl functionality may contribute to characteristic ultraviolet and spectroscopic behaviour under appropriate analytical conditions.

Solid-state considerations

ALT-711 (Alagebrium Chloride) is supplied as a laboratory solid. Solid-state characteristics such as crystallinity, particle morphology, residual moisture and residual solvent content may depend on manufacturing and purification procedures.

Analytical laboratories may use thermal behaviour, powder analysis or spectroscopic comparison as supplementary identity indicators where appropriate.

Chemical identity and registry metadata

  • Product name: ALT-711 (Alagebrium Chloride)
  • Chemical name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenylethanone chloride
  • CAS number: 341028-37-3
  • PubChem CID: 216306
  • Molecular formula: C13H14ClNOS
  • Molecular weight: 267.77 g/mol
  • Material form: Laboratory solid

Analytical laboratory applications

ALT-711 may serve as a qualitative reference compound in structural verification and comparative analytical workflows involving LC-MS, HPLC, NMR and infrared spectroscopy. Laboratory procedures may include retention-time comparison, molecular-weight confirmation and comparative spectral profiling.

  • LC-MS molecular-weight verification
  • HPLC retention-time comparison
  • NMR structural analysis
  • Infrared functional-group confirmation
  • Comparative profiling of thiazolium compounds
  • Analytical method development and validation support

Structural classification

ALT-711 can be structurally classified as a substituted thiazolium salt containing a phenyl ketone region, a heteroaromatic cationic ring and a chloride counterion.

Its molecular framework provides a distinct ionic aromatic architecture for comparative analytical workflows involving thiazolium salts, heteroaromatic compounds and related carbonyl-containing reference materials.

Aromatic substitution pattern

The molecular structure contains an unsubstituted phenyl ring attached to the carbonyl region, while the heteroaromatic thiazolium ring carries two adjacent methyl substituents.

This asymmetric arrangement provides distinguishable proton and carbon environments that may support structural verification through NMR and chromatographic comparison.

Ionic thiazolium architecture

The molecular structure contains a permanently charged thiazolium region in which the positive charge is associated with the nitrogen-containing heteroaromatic system.

This ionic architecture distinguishes ALT-711 from neutral thiazole derivatives and can significantly influence solubility, chromatographic behaviour and mass-spectrometric response.

Heteroatom environments

The ALT-711 structure contains nitrogen, oxygen and sulfur atoms occupying chemically distinct environments. Nitrogen and sulfur are incorporated within the thiazolium system, while oxygen is present within the ketone carbonyl functionality.

These heteroatom environments contribute to molecular polarity, ionic character and spectroscopic characteristics.

Carbonyl environment characteristics

ALT-711 contains one ketone carbonyl functionality adjacent to the phenyl ring. This carbonyl environment contributes to molecular polarity and provides a distinct spectroscopic marker.

The carbonyl carbon may provide a characteristic carbon NMR resonance, while its vibrational behaviour may produce a prominent infrared absorption feature.

Ionisation behaviour

The permanent positive charge of the thiazolium component gives ALT-711 distinctive ionisation characteristics. The chloride counterion and the distribution of heteroatoms should be considered when interpreting mass-spectrometric data.

Mobile-phase composition, solvent system and instrument parameters can influence observed ionic species, response intensity and chromatographic behaviour.

Elemental composition distribution

The molecular formula C13H14ClNOS contains one nitrogen atom and one sulfur atom within the thiazolium framework, one oxygen atom within the carbonyl group and one chloride counterion.

The theoretical elemental composition may support identity verification when combined with accurate-mass spectrometry and spectroscopic analysis.

Reference positioning in analytical workflows

As a chemical reference material, ALT-711 (Alagebrium Chloride) may be used for qualitative structural comparison, method development and analytical identity verification in laboratories examining thiazolium salts, aromatic ketones, ionic heterocyclic compounds or related reference materials.

Analytical reproducibility depends on consistent sample preparation, validated instrument parameters, suitable reference documentation and controlled storage conditions.

Material consistency and traceability

Each unit is supplied in sealed laboratory packaging designed to support material integrity during storage and transport. Batch identification labelling supports traceability and internal documentation within controlled research environments.

Packaging should remain closed when the material is not in use and should be protected from moisture, excessive heat and direct light.

Handling and storage conditions

  • Storage: Store according to the conditions stated in the accompanying product documentation.
  • Handling: Handle according to standard laboratory safety procedures and the accompanying safety documentation.
  • Personal protection: Use appropriate laboratory gloves, protective clothing and eye protection.
  • Moisture protection: Minimise unnecessary exposure to air and humidity.
  • Long-term storage: Follow the conditions stated in the product documentation and applicable laboratory procedures.

 

Frequently asked technical questions

What is the CAS number of ALT-711 (Alagebrium Chloride)?
The CAS number is 341028-37-3.

What is the PubChem CID of ALT-711?
The PubChem compound identifier is 216306.

What is the molecular formula of ALT-711 (Alagebrium Chloride)?
The molecular formula is C13H14ClNOS.

What is the molecular weight of ALT-711 (Alagebrium Chloride)?
The molecular weight is approximately 267.77 g/mol.

What is the chemical name of ALT-711?
The chemical name is 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenylethanone chloride.

What structural class does ALT-711 belong to?
ALT-711 is a substituted thiazolium salt containing a phenyl ketone region and a chloride counterion.

How many nitrogen atoms does ALT-711 contain?
The molecular structure contains one nitrogen atom.

How many sulfur atoms does ALT-711 contain?
The molecular structure contains one sulfur atom.

Which counterion is present in Alagebrium Chloride?
The compound contains chloride as its counterion.

Is this product intended for human or animal use?
No. This material is supplied exclusively as a laboratory reference compound.

Disclaimer:
This product is supplied exclusively as a chemical reference material for laboratory and analytical purposes. Not for human or animal consumption. Not intended for food, supplement, cosmetic, medical, diagnostic or therapeutic use.

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Specificaties

Intended use: Laboratory research and analytical reference purposes only
Application area: Analytical chemistry, reference comparison and method development
End user: Professional users in controlled research environments
Regulatory classification: Chemical reference material
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