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Substance Name: Diclofenac [USAN:INN:BAN]
RN: 15307-86-5
UNII: 144O8QL0L1
InChIKey: DCOPUUMXTXDBNB-UHFFFAOYSA-N

Note

  • A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt.

Molecular Formula

  • C14-H11-Cl2-N-O2

Molecular Weight

  • 296.1519
 

Classification Codes

  • Analgesics
  • Analgesics, Non-Narcotic
  • Anti-Inflammatory Agents
  • Anti-Inflammatory Agents, Non-Steroidal
  • Antirheumatic Agents
  • Cyclooxygenase Inhibitors
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Human Data
  • Peripheral Nervous System Agents
  • Reproductive Effect
  • Sensory System Agents

Names and Synonyms

Name of Substance

  • Diclofenac
  • Diclofenac [USAN:INN:BAN]

MeSH Heading

  • Diclofenac

Synonyms

  • 2-((2,6-Dichlorophenyl)amino)benzeneacetic acid
  • BRN 2146636
  • Dichlofenac
  • Diclofenac
  • Diclofenac acid
  • Diclofenaco
  • Diclofenaco [INN-Spanish]
  • Diclofenacum
  • Diclofenacum [INN-Latin]
  • Diclophenac
  • EC 239-348-5
  • EINECS 239-348-5
  • HSDB 7234
  • Olfen
  • ProSorb-D
  • UNII-144O8QL0L1
  • Zorovolex
  • Zorvolex

Systematic Names

  • Acetic acid, (o-(2,6-dichloroanilino)phenyl)-
  • Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)- (9CI)
  • Diclofenac

Registry Numbers

CAS Registry Number

  • 15307-86-5

FDA UNII

  • 144O8QL0L1

Related Registry Number

  • 15307-81-0 (mono-potassium salt)

System Generated Number

  • 0015307865

Structure Descriptors

InChI

1S/C14H11Cl2NO2/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)

InChIKey

DCOPUUMXTXDBNB-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo intramuscular 1070ug/kg (1.07mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" Annals of Internal Medicine. Vol. 117, Pg. 1058, 1992.
man TDLo oral 29mg/kg (29mg/kg) BLOOD: "CHANGES IN SERUM COMPOSITION (E.G., TP, BILIRUBIN, CHOLESTEROL)" Journal of Toxicology, Clinical Toxicology. Vol. 33, Pg. 173, 1995.
mouse LD50 intraperitoneal 345mg/kg (345mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 43, Pg. 44, 1993.
mouse LD50 oral 170mg/kg (170mg/kg)   Pharmazie. Vol. 37, Pg. 148, 1982.
rat LD50 oral 62500ug/kg (62.5mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 30, Pg. 1398, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 4.15 (none)   EXP
log P (octanol-water) 4.51 (none)   EXP
Water Solubility 2.37 mg/L 25 EXP
Vapor Pressure 6.14E-08 mm Hg 25 EST
Henry's Law Constant 4.73E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.65E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.