L-Carnitine hydrochloride - ≥98% , CAS No.6645-46-1

CAS: 6645-46-1 Cat. No.: C119762 Molecular Weight: 197.66 EC Number: 229-663-6

GRADE & PURITY ≥98%

Synonyms

J3Y5E6IKS3 | L-Carnitine hydrochloride, synthetic, >=98% | CARNITINE HCL [INCI] | L-Carnitine chloride | [(2R)-2,4-bis(oxidanyl)-4-oxidanylidene-butyl]-trimethyl-azanium chloride | L-Carnitine hydrochloride | (R)-3-Hydroxy-4-(trimethylammonio)butyrate Hyd

Storage

Room temperature

Shipped In

Normal

Overview

Carnitine is a quaternary amine that occurs naturally in most mammalian tissue. It is present in relatively high concentrations in skeletal muscle and heart where it is involved in regulating energy metabolism. It shifts glucose metabolism from glycolysis to glycogen storage and enhances the transport of long chain fatty acids into the mitochondria where they are oxidized for energy production.

Specifications

Synonyms

J3Y5E6IKS3 | L-Carnitine hydrochloride, synthetic, >=98% | CARNITINE HCL [INCI] | L-Carnitine chloride | [(2R)-2, 4-bis(oxidanyl)-4-oxidanylidene-butyl]-trimethyl-azanium chloride | L-Carnitine hydrochloride | (R)-3-Hydroxy-4-(trimethylammonio)butyrate Hyd

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Naturally occurring substance required in mammalian energy metabolism for facilitating long chain fatty acid transport across mitochondrial membrane. Prevents neurotoxicity. Administration effects dopamine, epinephrine, and serotonin levels.

Storage

Room temperature

Shipped In

Normal

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488190996
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190996
• Canonical Smiles: C[N+](C)(C)CC(CC(=O)O)O.[Cl-]
• IUPAC Name: [(2R)-3-carboxy-2-hydroxypropyl]-trimethylazanium;chloride
• InChIKey: JXXCENBLGFBQJM-FYZOBXCZSA-N
• INCHI: 1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m1./s1
• Isomeric SMILES: C[N+](C)(C)C[C@@H](CC(=O)O)O.[Cl-]
• WGK Germany: 2
• RTECS: BP2979100
• Alternate CAS: 44985-79-7
• Molecular Weight: 197.66
• Reaxy-Rn: 4163212
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4163212&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Carnitines
• Alternative Parents: Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Fatty acids and conjugates Tetraalkylammonium salts Secondary alcohols 1,2-aminoalcohols Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carnitine - Beta-hydroxy acid - Short-chain hydroxy acid - Fatty acid - Hydroxy acid - Tetraalkylammonium salt - 1,2-aminoalcohol - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organic zwitterion - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carnitines. These are organic compounds containing the quaternary ammonium compound carnitine.
• 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

Associated Targets(Human)

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water; Soluble in Ethanol
• Specific Rotation[α]: -21.8° (C=1,H2O)
• Melt Point(°C): 139 °C
• Molecular Weight: 197.660 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 197.082 Da
• Monoisotopic Mass: 197.082 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 139.000
• 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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