Diclofenac Epolamine - ≥95% , Cyclooxygenase inhibitor, CAS No.119623-66-4, Cyclooxygenase inhibitor

CAS: 119623-66-4 Cat. No.: D413322 Formule: C₂₀H₂₄Cl₂N₂O₃ Poids moléculaire: 411.32 Numéro CE: 684-865-5

QUALITÉ & PURETÉ ≥95%

Synonyms

DHEP | DIEP | diclofenac hydroxyethylpyrrolidine | 2-(Pyrrolidin-1-yl)ethan-1-ol 2-(2-((2,6-dichlorophenyl)amino)phenyl)acetate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

Diclofenac Epolamine (DHEP, DIEP, diclofenac hydroxyethylpyrrolidine) is a non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions.

Product description

Diclofenac Epolamine is a non-steroidal anti-inflammatory agent (NSAID) with analgesic and antipyretic actions.

Spécifications

Synonymes

DHEP | DIEP | diclofenac hydroxyethylpyrrolidine | 2-(Pyrrolidin-1-yl)ethan-1-ol 2-(2-((2,6-dichlorophenyl)amino)phenyl)acetate

Spécifications et pureté

≥95%

Mécanismes biochimiques et physiologiques

Diclofenac Epolamine (DHEP, DIEP, diclofenac hydroxyethylpyrrolidine) is a non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions.

Conditions de stockage de stockage

Store at -20°C

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.

Type d'action

INHIBITOR

Mécanisme d'action

Cyclooxygenase inhibitor

Pureté

≥95%

Propriétés du produit

ALogP

1.58

hba_count

1

Nombre de HBD

2

Liaison rotative

6

Noms et identifiants

Pubchem Sid

488187513

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187513

Sourires canoniques

C1CCN(C1)CCO.C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl

IUPAC Name

2-[2-(2,6-dichloroanilino)phenyl]acetic acid;2-pyrrolidin-1-ylethanol

InChIKey

DCERVXIINVUMKU-UHFFFAOYSA-N

INCHI

1S/C14H11Cl2NO2.C6H13NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;8-6-5-7-3-1-2-4-7/h1-7,17H,8H2,(H,18,19);8H,1-6H2

Isomères SMILES

C1CCN(C1)CCO.C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl

Poids moléculaire

411.32

Reaxy-Rn

6837284

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6837284&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aniline and substituted anilines Aryl chlorides N-alkylpyrrolidines Trialkylamines 1,2-aminoalcohols Amino acids Secondary amines Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives Organochlorides Organic oxides
• Molecular Framework: Not available
• Substituents: 1,3-dichlorobenzene - Aniline or substituted anilines - N-alkylpyrrolidine - Aryl chloride - Aryl halide - Pyrrolidine - 1,2-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Amino acid - Monocarboxylic acid or derivatives - Secondary amine - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Alkanolamine - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• External Descriptors: organic salt

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

• Solubilité: Solubility (25°C) In vitro DMSO: 82 mg/mL (199.35 mM); Water: 82 mg/mL (199.35 mM); Ethanol: 82 mg/mL (199.35 mM)
• DMSO (mg/mL) Solubilité maximale: 82
• DMSO (mM) Solubilité maximale: 199.358163959934
• Eau (mg/mL) Solubilité maximale: 82
• Eau (mM) Solubilité maximale: 199.358163959934
• Poids moléculaire: 411.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 410.116 Da
• Monoisotopic Mass: 410.116 Da
• Topological Polar Surface Area: 72.800 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 363.000
• Isotope Atom Count: 0
• 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: 2

XLogP3

Foire aux questions

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 119623-66-4, the molecular formula is C20H24Cl2N2O3, and the molecular weight is 411.32 g/mol. InChIKey DCERVXIINVUMKU-UHFFFAOYSA-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.