Etomoxir (Na salt) - ≥99% , CAS No.828934-41-4

CAS: 828934-41-4 Cat. No.: E304730 分子式: C₁₅H₁₈ClO₄·Na 分子量: 320.74 EC番号: 696-186-1

GRADE & PURITY ≥99%

Synonyms

FD10620 | 828934-41-4 (sodium) | J-500930 | (R)-Etomoxir sodium | s8244 | (+)-Etomoxir sodium salt | MFCD07787411 | Na salt | Etomoxir (Na salt) | E0232 | UNII-Z6MN4UHR8S | HY-50202A | (2R)-2-[6-(4-chlorophenoxy)hexyl]-2-oxiranecarboxylic acid monosodium

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

同義語

FD10620 | 828934-41-4 (sodium) | J-500930 | (R)-Etomoxir sodium | s8244 | (+)-Etomoxir sodium salt | MFCD07787411 | Na salt | Etomoxir (Na salt) | E0232 | UNII-Z6MN4UHR8S | HY-50202A | (2R)-2-[6-(4-chlorophenoxy)hexyl]-2-oxiranecarboxylic acid monosodium

仕様と純度

≥99%

生化学的・生理学的メカニズム

Irreverisble inhibitor of mitochondrial carnitine palmitoyl transferase 1 (CPT1). PPARα direct agonist. Used in fatty acid oxidation\xa0studies.

保管条件

Protected from light,Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

注

Toxic, refer to SDS for further information . Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥99%

名前と識別子

パブケム・シド

504771556

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504771556

カノニカル・スマイル

C1C(O1)(CCCCCCOC2=CC=C(C=C2)Cl)C(=O)[O-].[Na+]

IUPAC Name

sodium;(2R)-2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate

InChIKey

RPACBEVZENYWOL-XFULWGLBSA-M

INCHI

1S/C15H19ClO4.Na/c16-12-5-7-13(8-6-12)19-10-4-2-1-3-9-15(11-20-15)14(17)18;/h5-8H,1-4,9-11H2,(H,17,18);/q;+1/p-1/t15-;/m1./s1

異性体SMILES

C1[C@](O1)(CCCCCCOC2=CC=C(C=C2)Cl)C(=O)[O-].[Na+]

分子量

320.74

Reaxy-Rn

6964368

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6964368&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Medium-chain fatty acids Alkyl aryl ethers Chlorobenzenes Oxirane carboxylic acids Aryl chlorides Carboxylic acid salts Oxacyclic compounds Carboxylic acids Dialkyl ethers Organic metal halides Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic sodium salts Organochlorides Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Medium-chain fatty acid - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Oxirane carboxylic acid - Oxirane carboxylic acid or derivatives - Carboxylic acid salt - Organic metal halide - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Organic alkali metal salt - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carbonyl group - Organic oxygen compound - Organic sodium salt - Organic oxide - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic salt - Organic cation - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

化学的性質と物理的性質

• 感度: Light sensitive
• 分子量: 320.740 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 320.079 Da
• Monoisotopic Mass: 320.079 Da
• Topological Polar Surface Area: 61.900 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 321.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 828934-41-4, the molecular formula is C15H18ClO4·Na, and the molecular weight is 320.74 g/mol. InChIKey RPACBEVZENYWOL-XFULWGLBSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.