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

CAS: 119623-66-4 Cat. No.: D413322 Summenformel: C₂₀H₂₄Cl₂N₂O₃ Molekulargewicht: 411.32 EG-Nummer: 684-865-5

GRADE & PURITY ≥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

Übersicht

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.

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥95%

Biochemische und physiologische Mechanismen

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

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Cyclooxygenase inhibitor

Reinheit

≥95%

Produkteigenschaften

• ALogP: 1.58
• hba_count: 1
• HBD-Zahl: 2
• Rotationsfähige Bindung: 6

Namen und Kennungen

• Pubchem Sid: 488187513
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187513
• Kanonisches Lächeln: 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
• Isomere SMILES: C1CCN(C1)CCO.C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: 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) Maximale Löslichkeit: 82
• DMSO (mM) Maximale Löslichkeit: 199.358163959934
• Wasser (mg/ml) Maximale Löslichkeit: 82
• Wasser (mM) Maximale Löslichkeit: 199.358163959934
• Molekulargewicht: 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

Häufig gestellte Fragen

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.