Diclofenac Potassium - ≥99% , Cyclooxygenase inhibitor, CAS No.15307-81-0, Cyclooxygenase inhibitor

CAS: 15307-81-0 Cat. No.: D129413 Molecular Weight: 334.24 EC Number: 630-422-6 PubChem CID: 23667642

GRADE & PURITY ≥99%

Synonyms

Diclofenac potassium (USP) | Tox21_110258 | Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, monopotassium salt | D00903 | DICLOFENAC POTASSIUM (USP-RS) | DICLOFENAC POTASSIUM [ORANGE BOOK] | DICLOFENAC POTASSIUM [USP MONOGRAPH] | Q27106401 | Cataflam

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Diclofenac potassium (USP) | Tox21_110258 | Benzeneacetic acid, 2-((2, 6-dichlorophenyl)amino)-, monopotassium salt | D00903 | DICLOFENAC POTASSIUM (USP-RS) | DICLOFENAC POTASSIUM [ORANGE BOOK] | DICLOFENAC POTASSIUM [USP MONOGRAPH] | Q27106401 | Cataflam

Specifications & Purity

≥99%

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

Mechanism of action

Cyclooxygenase inhibitor

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488200429
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200429
• Canonical Smiles: C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[K+]
• IUPAC Name: potassium;2-[2-(2,6-dichloroanilino)phenyl]acetate
• InChIKey: KXZOIWWTXOCYKR-UHFFFAOYSA-M
• INCHI: 1S/C14H11Cl2NO2.K/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1
• Isomeric SMILES: C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[K+]
• PubChem CID: 23667642
• Molecular Weight: 334.24

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aniline and substituted anilines Aryl chlorides Carboxylic acid salts Amino acids Secondary amines Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organochlorides Organic zwitterions Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - 1,3-dichlorobenzene - Aryl chloride - Aryl halide - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Organic metal halide - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic zwitterion - Organic salt - Organic potassium salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic 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: potassium 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

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 69 mg/mL Water 10 mg/mL Ethanol <1 mg/mL
• Molecular Weight: 334.200 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 332.973 Da
• Monoisotopic Mass: 332.973 Da
• Topological Polar Surface Area: 52.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 310.000
• 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

References

1. Sun Zhiping, He Lingli, Yang Qingqing, Zhang Haizhi, Xu Weiren, Qin Xinguang, Liu Gang, Hu Zhongze, Zhang Luyong, Liu Changxiao.  (2022)  Study on the Effect of Three CYP2C9 Variants on Drug–Drug Interaction Related to Six Drugs In Vitro by LC–MS/MS Method.  CHROMATOGRAPHIA,  85  (3): (221-231).  [PMID:] [10.1007/s10337-021-04126-8]

2. Zheng-Kang Luo, Hui-Min Qin, Jin-Meng Han, Jin Zhu, Yu-Yu Zeng, Chang-Ping Fan, Shu-Xian Liu, Chao Hao, Jian Zhang, Tao Zhuang.  (2024)  Novel drug-drug co-amorphous systems of olaparib with nonsteroidal anti-inflammatory drugs with improved solubility, physical stability, antitumor activity and pharmacokinetics.  JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.jddst.2024.106232]