(±)-Hexanoylcarnitine chloride - ≥98%(HPLC) , CAS No.6920-35-0

CAS: 6920-35-0 Cat. No.: H286609 Formula: C₁₃H₂₆ClNO₄ Molecular Weight: 295.81 EC Number: 636-206-8

GRADE & PURITY ≥98%(HPLC)

Synonyms

Hexanoyl-DL-carnitine chloride | Hexanoylcarnitine (chloride) | 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-((1-oxohexyl)oxy)-, chloride | HY-100978 | ( inverted exclamation markA)-Hexanoylcarnitine (chloride) | SCHEMBL12002443 | EX-A7652 | 1-Propanamini

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

(±)-Hexanoylcarnitine chloride is a fatty acid metabolite that breaks down fatty acids into energy that can be used by the body. (±)-Hexanoylcarnitine chloride also serves as a specific and easily detectable biomarker for rat skeletal muscle toxicity. Cerivastatin (HY-129458) and TMPD (HY-W012145) induce an increase in Hexanoylcarnitine in rats in a metabolomic analysis of the rectus femoris muscle. In type 2 diabetes, Hexanoylcarnitine is also significantly associated with and improves prediction of all-cause mortality. Hexanoylcarnitine is a biomarker for the identification of novel pathogenic pathways.

Product description：

(±)-Hexanoylcarnitine chloride is an agonist for cholinergic and a homolog of acetylcarnitine chloride. Acetylcholine receptor (AChR) is an integral membrane protein receptor for acetylcholine. There are two kinds of AChRs: nicotinic acetylcholine receptors and muscarinic acetylcholine receptors.

(±)-Hexanoylcarnitine chloride is a cholinergic agonist and an intermediate in lipid metabolism . In retinal ganglion cells, acetylcarnitine and acetylcholine inhibited GABAergic responses to exogenous GABA and GABAergic inhibitory postsynaptic currents .

Specifications

Synonyms

Hexanoyl-DL-carnitine chloride | Hexanoylcarnitine (chloride) | 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-((1-oxohexyl)oxy)-, chloride | HY-100978 | ( inverted exclamation markA)-Hexanoylcarnitine (chloride) | SCHEMBL12002443 | EX-A7652 | 1-Propanamini

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Homolog ofacetylcarnitine chloride.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 528753459
• Canonical Smiles: CCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]
• IUPAC Name: (3-carboxy-2-hexanoyloxypropyl)-trimethylazanium;chloride
• InChIKey: DTHGTKVOSRYXOK-UHFFFAOYSA-N
• INCHI: 1S/C13H25NO4.ClH/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4;/h11H,5-10H2,1-4H3;1H
• Isomeric SMILES: CCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]
• Molecular Weight: 295.81
• Reaxy-Rn: 6590637
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6590637&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Dicarboxylic acids and derivatives Tetraalkylammonium salts Carboxylic acid esters Carboxylic acids Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Amine - Carbonyl group - Organic salt - Organooxygen compound - Organonitrogen compound - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 29.58, Max Conc. mM: 100
• Sensitivity: Moisture sensitive
• Molecular Weight: 295.800 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 295.155 Da
• Monoisotopic Mass: 295.155 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 271.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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