Isobutyryl-L-carnitine chloride - ≥98% , CAS No.6920-31-6

CAS: 6920-31-6 Cat. No.: I649096 Molecular Weight: 267.75 PubChem CID: 71749537

GRADE & PURITY ≥98%

Synonyms

MFCD09263552 | Isobutyryl-L-(-)-carnitine hydrochloride | HY-113165A | MS-23779 | Isobutyryl-L-carnitine (chloride) | starbld0000880 | (2R)-3-Carboxy-N,N,N-trimethyl-2-[(2-methylpropanoyl)oxy]propan-1-aminium chloride | DTXSID20857876 | [(2R)-3-carboxy-2-

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Isobutyryl-L-carnitine chloride is a product of the acyl-CoA dehydrogenases.

Form:Solid

Specifications

Synonyms

MFCD09263552 | Isobutyryl-L-(-)-carnitine hydrochloride | HY-113165A | MS-23779 | Isobutyryl-L-carnitine (chloride) | starbld0000880 | (2R)-3-Carboxy-N, N, N-trimethyl-2-[(2-methylpropanoyl)oxy]propan-1-aminium chloride | DTXSID20857876 | [(2R)-3-carboxy-2-

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Isobutyryl-L-carnitine chloride is a product of the acyl-CoA dehydrogenases.

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)C(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]
• IUPAC Name: [(2R)-3-carboxy-2-(2-methylpropanoyloxy)propyl]-trimethylazanium;chloride
• InChIKey: FWUACOYFRJEMMP-SBSPUUFOSA-N
• INCHI: 1S/C11H21NO4.ClH/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5;/h8-9H,6-7H2,1-5H3;1H/t9-;/m1./s1
• Isomeric SMILES: CC(C)C(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-]
• PubChem CID: 71749537
• Molecular Weight: 267.75

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched fatty acids
• 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: Branched fatty acid - Dicarboxylic acid or derivatives - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Amine - Organic nitrogen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as branched fatty acids. These are fatty acids containing a branched chain.
• 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: H2O : 250 mg/mL (933.71 mM; Need ultrasonic) DMSO : 30 mg/mL (112.04 mM; Need ultrasonic)
• Molecular Weight: 267.750 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 267.124 Da
• Monoisotopic Mass: 267.124 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 255.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• 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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