Ethacrynate Sodium - ≥99% , Sodium-(potassium)-chloride cotransporter 2 inhibitor, CAS No.6500-81-8, Sodium-(potassium)-chloride cotransporter 2 inhibitor

CAS: 6500-81-8 Cat. No.: E413347 Fórmula: C₁₃H₁₁Cl₂NaO₄ Peso molecular: 325.12 PubChem CID: 23668825

GRAU & PUREZA ≥99%

Synonyms

Ethacrynic Sodium | MLS000859969 | Q27281933 | ETHACRYNATE SODIUM | Sodium (2,3-dichloro-4-(2-methylenebutyryl)phenoxy)acetate | SODIUM ETACRYNATE (MART.) | Sodium ethacrynate | Sodium [2,3-dichloro-4-(2-methylenebutyryl)phenoxy]acetate | ETHACRYNIC ACID

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

Ethacrynate Sodium (ethacrynic acid sodium) is the sodium salt form of ethacrynic acid, which inhibits symport of sodium, potassium, and chloride primarily in the ascending limb of Henle, but also in the proximal and distal tubules.

Especificações

Sinónimos

Ethacrynic Sodium | MLS000859969 | Q27281933 | ETHACRYNATE SODIUM | Sodium (2,3-dichloro-4-(2-methylenebutyryl)phenoxy)acetate | SODIUM ETACRYNATE (MART.) | Sodium ethacrynate | Sodium [2,3-dichloro-4-(2-methylenebutyryl)phenoxy]acetate | ETHACRYNIC ACID

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Ethacrynate Sodium (ethacrynic acid sodium) is the sodium salt form of ethacrynic acid, which inhibits symport of sodium, potassium, and chloride primarily in the ascending limb of Henle, but also in the proximal and distal tubules.

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.

Tipo de ação

INHIBITOR

Mecanismo de ação

Sodium-(potassium)-chloride cotransporter 2 inhibitor

Pureza

≥99%

Propriedades do produto

ALogP

2.489

Ligação rotativa

6

Nomes e identificadores

Pubchem Sid

528764419

Sorrisos canónicos

CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)[O-])Cl)Cl.[Na+]

IUPAC Name

sodium;2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetate

InChIKey

CWCSCNSKBSCYCS-UHFFFAOYSA-M

INCHI

1S/C13H12Cl2O4.Na/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17;/h4-5H,2-3,6H2,1H3,(H,16,17);/q;+1/p-1

SMILES isoméricas

CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)[O-])Cl)Cl.[Na+]

PubChem CID

23668825

Peso molecular

325.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenoxyacetic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Butyrophenones Phenoxy compounds Phenol ethers Aryl ketones Benzoyl derivatives Dichlorobenzenes Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Aryl chlorides Acryloyl compounds Vinylogous halides Enones Carboxylic acid salts Carboxylic acids Organic metal halides Monocarboxylic acids and derivatives Organic oxides Organic sodium salts Organochlorides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxyacetate - Butyrophenone - Phenoxy compound - 1,2-dichlorobenzene - Phenol ether - Benzoyl - Aryl ketone - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl chloride - Aryl halide - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Vinylogous halide - Enone - Alpha,beta-unsaturated ketone - Carboxylic acid salt - Ketone - Organic metal halide - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - Organooxygen compound - Carbonyl group - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 65 mg/mL (199.92 mM); Water: 65 mg/mL (199.92 mM); Ethanol: 10 mg/mL (30.75 mM)
• DMSO (mg/mL) Solubilidade máxima: 65
• DMSO (mM) Solubilidade máxima: 199.926181102362
• Água (mg/mL) Solubilidade máxima: 65
• Água (mM) Solubilidade máxima: 199.926181102362
• Peso molecular: 325.120 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 323.993 Da
• Monoisotopic Mass: 323.993 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 375.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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