Benzoate-d5sodium - ≥99% , CAS No.62790-26-5

CAS: 62790-26-5 Cat. No.: B647985 Fórmula: C₆D₅CO₂Na Peso molecular: 149.13 Número CE: 685-792-1 PubChem CID: 23671533

GRADE & PURITY ≥99%

Synonyms

Benzoic-d5 acid,sodiumsalt(9ci) | DTXSID30635460 | sodium;2,3,4,5,6-pentadeuteriobenzoate | MFCD01075425 | Sodium (~2~H_5_)benzoate | D99672 | Benzoate-d5 (sodium) | SCHEMBL1332445 | Sodium benzoate-d5 | HY-Y1316S | Sodium benzoate-d5, 98 atom % D

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Visão geral

Benzoate-d 5 (sodium) is the deuterium labeled Sodium benzoate.

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Sinónimos

Benzoic-d5 acid,sodiumsalt(9ci) | DTXSID30635460 | sodium;2,3,4,5,6-pentadeuteriobenzoate | MFCD01075425 | Sodium (~2~H_5_)benzoate | D99672 | Benzoate-d5 (sodium) | SCHEMBL1332445 | Sodium benzoate-d5 | HY-Y1316S | Sodium benzoate-d5, 98 atom % D

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Benzoate-d 5 (sodium) is the deuterium labeled Sodium benzoate.

Condições de armazenamento de armazenamento

Store at 2-8°C,Desiccated

Enviado em

Wet ice

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

Pureza

≥99%

Nomes e identificadores

• Sorrisos canónicos: C1=CC=C(C=C1)C(=O)[O-].[Na+]
• IUPAC Name: sodium;2,3,4,5,6-pentadeuteriobenzoate
• InChIKey: WXMKPNITSTVMEF-GWVWGMRQSA-M
• INCHI: 1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1/i1D,2D,3D,4D,5D
• SMILES isoméricas: [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)[O-])[2H])[2H].[Na+]
• PubChem CID: 23671533
• Peso molecular: 149.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Benzoyl derivatives Carboxylic acid salts Carboxylic acids Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid - Benzoyl - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
• 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

• Ponto de inflamação (°F): 249.8 °F
• Ponto de inflamação (°C): 121 °C
• Ponto de fusão (°C): >300℃ (lit.)