D-Carnitine hydrochloride - ≥98% , CAS No.10017-44-4

CAS: 10017-44-4 Cat. No.: D413358 Fórmula: C₇H₁₆ClNO₃ Peso molecular: 197.66

GRADE & PURITY ≥98%

Synonyms

(S)-Carnitine hydrochloride | Q27251346 | (S)-Carnitinehydrochloride | 11X758JML9 | Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, chloride, (+)- | D-Carnitine (hydrochloride) | AS-73419 | (+)-(3-Carboxy-2-hydroxypropyl)trimethylammonium chloride | D-Ca

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

D-Carnitine hydrochloride ((S)-Carnitine hydrochloride, (+)-Carnitine hydrochloride) is biosynthesized from lysine. It might be associated with the energy production from branched chain amino acids.

Specifications

Sinónimos

(S)-Carnitine hydrochloride | Q27251346 | (S)-Carnitinehydrochloride | 11X758JML9 | Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, chloride, (+)- | D-Carnitine (hydrochloride) | AS-73419 | (+)-(3-Carboxy-2-hydroxypropyl)trimethylammonium chloride | D-Ca

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

D-Carnitine hydrochloride ((S)-Carnitine hydrochloride, (+)-Carnitine hydrochloride) is biosynthesized from lysine. It might be associated with the energy production from branched chain amino acids.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Propriedades do produto

• ALogP: -4.49
• hba_count: 1
• Contagem HBD: 1
• Ligação rotativa: 4

Nomes e identificadores

• Pubchem Sid: 528764050
• Sorrisos canónicos: C[N+](C)(C)CC(CC(=O)O)O.[Cl-]
• IUPAC Name: [(2S)-3-carboxy-2-hydroxypropyl]-trimethylazanium;chloride
• InChIKey: JXXCENBLGFBQJM-RGMNGODLSA-N
• INCHI: 1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m0./s1
• SMILES isoméricas: C[N+](C)(C)C[C@H](CC(=O)O)O.[Cl-]
• Peso molecular: 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
    • Classe Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 40 mg/mL (202.36 mM); Water: 40 mg/mL (202.36 mM); Ethanol: 40 mg/mL
• DMSO (mg/mL) Solubilidade máxima: 40
• DMSO (mM) Solubilidade máxima: 202.367702114743
• Água (mg/mL) Solubilidade máxima: 40
• Água (mM) Solubilidade máxima: 202.367702114743
• Peso molecular: 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

XLogP3