DL-Carnitine hydrochloride - ≥98% , CAS No.461-05-2

CAS: 461-05-2 Cat. No.: C119784 Molecular Weight: 197.66 Beilstein Registry Number: 4163212 EC Number: 207-309-1

GRADE & PURITY ≥98%

Synonyms

carnitinhydrochlorid | CCG-213758 | FT-0649032 | s2293 | SCHEMBL357561 | NCGC00094816-01 | NCGC00094816-02 | SY018254 | 3-Hydroxy-4-(trimethylammonio)butyrate Hydrochloride | MFCD00011904 | AKOS015892785 | HMS3372B07 | SMR000875216 | SPECTRUM1500624 | (3-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

carnitinhydrochlorid | CCG-213758 | FT-0649032 | s2293 | SCHEMBL357561 | NCGC00094816-01 | NCGC00094816-02 | SY018254 | 3-Hydroxy-4-(trimethylammonio)butyrate Hydrochloride | MFCD00011904 | AKOS015892785 | HMS3372B07 | SMR000875216 | SPECTRUM1500624 | (3-

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Racemic mixture of L-carnitine and D-carnitine. Regulates fatty acid transport in mitochondria. Elevates serum carnitine fractions. D-carnitine competitively depletes muscle level of L-carnitine. Orally active.

Storage

Argon charged, Room temperature

Shipped In

Normal

Action Type

INHIBITOR

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: 488179978
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179978
• Canonical Smiles: C[N+](C)(C)CC(CC(=O)O)O.[Cl-]
• IUPAC Name: (3-carboxy-2-hydroxypropyl)-trimethylazanium;chloride
• InChIKey: JXXCENBLGFBQJM-UHFFFAOYSA-N
• INCHI: 1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H
• Isomeric SMILES: C[N+](C)(C)CC(CC(=O)O)O.[Cl-]
• WGK Germany: 3
• RTECS: BP2979140
• Alternate CAS: 44985-79-7
• Molecular Weight: 197.66
• Beilstein: 4163212
• 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)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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HepG2 (196354 Activities)

Explore this target

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ERG Tbio Transcriptional regulator ERG (5589 Activities)

Discover Target: ERG

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

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Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 196-200°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: 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

XLogP3