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

CAS: 62790-26-5 Cat. No.: B647985 Formule: C₆D₅CO₂Na Poids moléculaire: 149.13 Numéro 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at 2-8°C,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%

Noms et identifiants

• Sourires canoniques: 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
• Isomères SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)[O-])[2H])[2H].[Na+]
• PubChem CID: 23671533
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Point d'éclair (°F): 249.8 °F
• Point d'éclair (°C): 121 °C
• Point de fusion (°C): >300℃ (lit.)