Nepafenac-d5 - ≥98% , CAS No.1246814-53-8

CAS: 1246814-53-8 Cat. No.: N649736 Molecular Weight: 259.31

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Nepafenac-d 5 is the deuterium labeled Nepafenac, which is a selective COX-2 inhibitor .

Form:Solid

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Nepafenac-d 5 is the deuterium labeled Nepafenac, which is a selective COX-2 inhibitor .

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)N
• IUPAC Name: 2-[2-amino-3-(2,3,4,5,6-pentadeuteriobenzoyl)phenyl]acetamide
• InChIKey: QEFAQIPZVLVERP-XFEWCBMOSA-N
• INCHI: 1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18)/i1D,2D,3D,5D,6D
• Molecular Weight: 259.31
• Reaxy-Rn: 4256257
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4256257&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Phenylacetamides Benzoyl derivatives Aniline and substituted anilines Vinylogous amides Primary carboxylic acid amides Amino acids and derivatives Primary amines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Phenylacetamide - Benzoyl - Aniline or substituted anilines - Aryl ketone - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Ketone - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

Chemical and Physical Properties

• Solubility: DMSO : ≥ 100 mg/mL (385.64 mM)