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

CAS: 62790-26-5 Cat. No.: B647985 分子式: C₆D₅CO₂Na 分子量: 149.13 EC番号: 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

概要

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

同義語

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

仕様と純度

≥99%

生化学的・生理学的メカニズム

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

保管条件

Store at 2-8°C,Desiccated

入荷

Wet ice

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。

純度

≥99%

名前と識別子

カノニカル・スマイル

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;

異性体SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)[O-])[2H])[2H].[Na+]

PubChem CID

23671533

分子量

149.13

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 引火点（°F）: 249.8 °F
• 引火点（°C）: 121 °C
• 融点（°C）: >300℃ (lit.)