D-Carnitine hydrochloride - 10mM in DMSO , CAS No.10017-44-4

CAS: 10017-44-4 Cat. No.: D420251 Molecular Weight: 197.66

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Overview

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

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

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

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.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Product Properties

• ALogP: -4.49
• hba_count: 1
• HBD Count: 1
• Rotatable Bond: 4

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C[N+](C)(C)C[C@H](CC(=O)O)O.[Cl-]
• 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

Chemical and Physical Properties

• DMSO(mg / mL) Max Solubility: 40
• DMSO(mM) Max Solubility: 202.367702114743
• Water(mg / mL) Max Solubility: 40
• Water(mM) Max Solubility: 202.367702114743
• 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

XLogP3