D-Carnitine - Moligand™, ≥98% , CAS No.541-14-0

CAS: 541-14-0 Cat. No.: C104549 Molecular Weight: 161.2 EC Number: 625-884-0

GRADE & PURITY Moligand™, ≥98%

Synonyms

(+)-β-Hydroxy-γ-(trimethylammonio)butyrate D(+)-Carnitine 3-Hydroxy-4-(trimethylammonio)butanoate

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

(+)-β-Hydroxy-γ-(trimethylammonio)butyrate D(+)-Carnitine 3-Hydroxy-4-(trimethylammonio)butanoate

Specifications & Purity

Moligand™, ≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C[N+](C)(C)CC(CC(=O)[O-])O
• IUPAC Name: (3S)-3-hydroxy-4-(trimethylazaniumyl)butanoate
• InChIKey: PHIQHXFUZVPYII-LURJTMIESA-N
• INCHI: 1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m0/s1
• Isomeric SMILES: C[N+](C)(C)C[C@H](CC(=O)[O-])O
• WGK Germany: 3
• Molecular Weight: 161.2
• Reaxy-Rn: 1866665
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1866665&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 Carboxylic acid salts 1,2-aminoalcohols Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic zwitterions Organic salts Organic oxides 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 - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organic zwitterion - Organic 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: carnitine

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)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

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

Associated Targets(non-human)

Slc22a4 Solute carrier family 22 member 4 (11 Activities)

Discover Target: Slc22a4

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Hygroscopic；moisture and air and heat sensitive
• Melt Point(°C): 197-212°C
• Molecular Weight: 161.200 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 161.105 Da
• Monoisotopic Mass: 161.105 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 134.000
• 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: 1

References

1. Lyu Jiaming, Shen Shengyuan, Chen Lin, Zhu Yiming, Zhuang Songlin.  (2023)  Frequency selective fingerprint sensor: the Terahertz unity platform for broadband chiral enantiomers multiplexed signals and narrowband molecular AIT enhancement.  PhotoniX,  4  (1): (1-14).  [PMID:] [10.1186/s43074-023-00108-1]

2. Zefang Wang, Yan Peng, Chengjun Shi, Liping Wang, Xiaohong Chen, Wanwan Wu, Xu Wu, Yiming Zhu, Jingchen Zhang, Guiliang Cheng, Songlin Zhuang.  (2021)  Qualitative and quantitative recognition of chiral drugs based on terahertz spectroscopy.  ANALYST,  146  (12): (3888-3898).  [PMID:34042921] [10.1039/D1AN00500F]

3. Feng Yang, Xin Qi, Yan Chen, Kai Tang, Mengyang Fang, Yanwei Song, Jiufen Liu, Lianming Zhang.  (2025)  A Novel Chiral Molecularly Imprinted Electrochemical Sensor Based on β-CD Functionalized Graphene Quantum Dots for Enantioselective Detection of D-Carnitine.  Foods,  14  (9): (1648).  [PMID:40361728] [10.3390/foods14091648]