Propionyl-L-carnitine Hydrochloride - ≥98%(T) , CAS No.119793-66-7

CAS: 119793-66-7 Cat. No.: P404920 Molecular Weight: 253.72 EC Number: 922-939-3 PubChem CID: 157836

GRADE & PURITY ≥98%(T)

Synonyms

Levocarnitine propionate hydrochloride | 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-, chloride, (R)- | HY-19564 | (-)-Propionylcarnitine | 12FW2YBF04 | 5-Ethyl-1,3-dimethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione # | CCG-213540 | Propio

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Levocarnitine propionate hydrochloride | 1-Propanaminium, 3-carboxy-N, N, N-trimethyl-2-(1-oxopropoxy)-, chloride, (R)- | HY-19564 | (-)-Propionylcarnitine | 12FW2YBF04 | 5-Ethyl-1, 3-dimethyl-5-phenyl-2, 4, 6(1H, 3H, 5H)-pyrimidinetrione # | CCG-213540 | Propio

Specifications & Purity

≥98%(T)

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 488188277
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188277
• Canonical Smiles: CCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]
• IUPAC Name: [(2R)-3-carboxy-2-propanoyloxypropyl]-trimethylazanium;chloride
• InChIKey: KTFMPDDJYRFWQE-DDWIOCJRSA-N
• INCHI: 1S/C10H19NO4.ClH/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4;/h8H,5-7H2,1-4H3;1H/t8-;/m1./s1
• Isomeric SMILES: CCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-]
• PubChem CID: 157836
• Molecular Weight: 253.72
• Reaxy-Rn: 10039580

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: Acyl carnitines
• Alternative Parents: Dicarboxylic acids and derivatives Tetraalkylammonium salts Carboxylic acid esters Carboxylic acids Organopnictogen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl-carnitine - Dicarboxylic acid or derivatives - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organic salt - Organic chloride salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acyl carnitines. These are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond.
• 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(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Specific Rotation[α]: -26° (C=1,H2O)
• Melt Point(°C): 168 °C(dec.)
• Molecular Weight: 253.720 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 253.108 Da
• Monoisotopic Mass: 253.108 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 232.000
• 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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