Acetylsalicylic Acid-d3 - BioReagent,≥98%,≥98 atom% D , CAS No.921943-73-9

CAS: 921943-73-9 Cat. No.: A304976 Formule: C₉H₅D₃O₄ Poids moléculaire: 183.18 Numéro CE: 804-650-3

GRADE & PURITY BioReagent, ≥98%,≥98 atom% D

Synonyms

2-(2,2,2-trideuterioacetyl)oxybenzoic acid | Trideuteriomethylaspirin | Acetylsalicylic Acid;ASA | MS-22975 | 2-(Acetyl-2,2,2-d3-oxy)-benzoic Acid | 2-[(2,2,2-?H?)acetyloxy]benzoic acid | UNII-7F6Y89636M | A935842 | Aspirin-d3 | 7F6Y89636M | Q27268193 | 2

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Aspirin-d3 is a deuterated derivative of acetylsalicylic acid. Acetylsalicylic acid is an irreversible inhibitor of cyclooxygenase COX-1 and COX-2, with IC50 values of 5 μg/mL and 210 μg/mL respectively. Aspirin induces cell apoptosis. It can inhibit the activation of NF-κB. It also inhibits platelet prostaglandin synthetase and can prevent coronary and cerebrovascular thrombosis.

Specifications

Synonymes

2-(2,2,2-trideuterioacetyl)oxybenzoic acid | Trideuteriomethylaspirin | Acetylsalicylic Acid;ASA | MS-22975 | 2-(Acetyl-2,2,2-d3-oxy)-benzoic Acid | 2-[(2,2,2-?H?)acetyloxy]benzoic acid | UNII-7F6Y89636M | A935842 | Aspirin-d3 | 7F6Y89636M | Q27268193 | 2

Spécifications et pureté

BioReagent, ≥98%,≥98 atom% D

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

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

Grade

BioReagent

Type d'action

INHIBITOR

Pureté

≥98%,≥98 atom% D

Noms et identifiants

• Sourires canoniques: CC(=O)OC1=CC=CC=C1C(=O)O
• IUPAC Name: 2-(2,2,2-trideuterioacetyl)oxybenzoic acid
• InChIKey: BSYNRYMUTXBXSQ-FIBGUPNXSA-N
• INCHI: 1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/i1D3
• Isomères SMILES: [2H]C([2H])([2H])C(=O)OC1=CC=CC=C1C(=O)O
• CAS alternatif: 50-78-2（unlabelled）
• Poids moléculaire: 183.18
• Reaxy-Rn: 779271
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=779271&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Salicylic acid and derivatives
            • Level7 Acylsalicylic acids and derivatives
              • Level8 Acylsalicylic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives - Salicylic acid and derivatives - Acylsalicylic acids and derivatives
• Direct Parent: Acylsalicylic acids
• Alternative Parents: Phenol esters Benzoic acids Phenoxy compounds Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acylsalicylic acid - Phenol ester - Benzoic acid - Phenoxy compound - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as acylsalicylic acids. These are o-acylated derivatives of salicylic acid.
• 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

• Sensibilité: Light sensitive
• Poids moléculaire: 183.180 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 183.061 Da
• Monoisotopic Mass: 183.061 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 212.000
• Isotope Atom Count: 3
• 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: 1

Foire aux questions

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). This product is isotopically enriched to ≥98 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. Lot-specific values are stated on the Certificate of Analysis.

What does BioReagent mean?

BioReagent indicates that the product has been processed and tested for biological and biochemical applications. Specifications may include endotoxin limits, microbial controls, sterility, low DNase/RNase/protease activity, and verified biological activity where relevant.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 921943-73-9, the molecular formula is C9H5D3O4, and the molecular weight is 183.18 g/mol. InChIKey BSYNRYMUTXBXSQ-FIBGUPNXSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.