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

CAS: 62790-26-5 Cat. No.: B647985 분자식: C₆D₅CO₂Na 분자량: 149.13 EC 번호: 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

개요

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

동의어

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

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

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

보관 조건

Store at 2-8°C,Desiccated

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥99%

이름과 식별자

• 정식 스마일: 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
• 이성체 SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)[O-])[2H])[2H].[Na+]
• PubChem CID: 23671533
• 분자량: 149.13

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 발화점(°F): 249.8 °F
• 발화점(°C): 121 °C
• 녹는점(°C): >300℃ (lit.)