Ketoprofen-C,d , CAS No.1189508-77-7

CAS: 1189508-77-7 Cat. No.: K1417068 Molecular Weight: 258.29 PubChem CID: 3825

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Ketoprofen- 13 C,d 3 is the 13 C- and deuterium labeled Ketoprofen. Ketoprofen (RP-19583) is a non-steroidal antiinflammatory agent, acting as a potent inhibitor of COX , with IC50s of 2 nM and 26 nM for COX-1 and COX-2 in human blood monocytes, respectively.

Specifications

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.

Names and Identifiers

• Canonical Smiles: CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O
• IUPAC Name: 2-(3-benzoylphenyl)propanoic acid
• InChIKey: DKYWVDODHFEZIM-UHFFFAOYSA-N
• INCHI: 1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
• Isomeric SMILES: CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O
• PubChem CID: 3825
• Molecular Weight: 258.29

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 Phenylpropanoic acids Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - 2-phenylpropanoic-acid - Benzoyl - Aryl ketone - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - 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: benzophenones - oxo monocarboxylic acid

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