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Substance Name: Alclofenac [USAN:INN:BAN:JAN]
RN: 22131-79-9
UNII: M9CP5H21N8
InChIKey: ARHWPKZXBHOEEE-UHFFFAOYSA-N

Note

  • An anti-inflammatory agent used in the treatment of rheumatoid arthritis; acts also as an analgesic and an antipyretic.

Molecular Formula

  • C11-H11-Cl-O3

Molecular Weight

  • 226.6579
 

Classification Codes

  • Analgesics
  • Analgesics, Non-Narcotic
  • Anti-Inflammatory
  • Anti-Inflammatory Agents
  • Anti-Inflammatory Agents, Non-Steroidal
  • Antirheumatic Agents
  • Drug / Therapeutic Agent
  • Peripheral Nervous System Agents
  • Reproductive Effect
  • Sensory System Agents
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Names and Synonyms

Name of Substance

  • Alclofenac
  • Alclofenac [USAN:INN:BAN:JAN]

Synonyms

  • (4-(Allyloxy)-3-chlorophenyl)acetic acid
  • (4-Allyloxy-3-chlorphenyl)essigsaeure
  • 3-chlor-4-allyloxy-phenylacetic acid
  • 3-Chloro-4-(2-propenyloxy)benzeneacetic acid
  • Alclofenac
  • Alclofenaco
  • Alclofenaco [INN-Spanish]
  • Alclofenacum
  • Alclofenacum [INN-Latin]
  • Alclophenac
  • Allopydin
  • Argun
  • BRN 2116510
  • Desinflam
  • EINECS 244-795-4
  • Kyselina 4-allyloxy-3-chlorfenyloctova
  • Kyselina 4-allyloxy-3-chlorfenyloctova [Czech]
  • Marvan Forte
  • Medifenac
  • Mervan
  • MY 101
  • Neosten
  • Neoston
  • Prinalgin
  • Reufenac
  • UNII-M9CP5H21N8
  • W 7320
  • Zumaril

Systematic Names

  • Acetic acid, 4-allyloxy-3-chlorophenyl-
  • Alclofenac
  • Benzeneacetic acid, 3-chloro-4-(2-propenyloxy)-

Registry Numbers

CAS Registry Number

  • 22131-79-9

FDA UNII

  • M9CP5H21N8

System Generated Number

  • 0022131799

Structure Descriptors

InChI

1S/C11H11ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h2-4,6H,1,5,7H2,(H,13,14)

InChIKey

ARHWPKZXBHOEEE-UHFFFAOYSA-N

Smiles

c1(cc(c(OCC=C)cc1)Cl)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 417mg/kg (417mg/kg)   Drugs in Japan Vol. -, Pg. 86, 1995.
mouse LD50 oral 1023mg/kg (1023mg/kg)   Drugs in Japan Vol. -, Pg. 86, 1995.
mouse LD50 subcutaneous 770mg/kg (770mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 5, Pg. 38, 1974.
rat LD50 intraperitoneal 465mg/kg (465mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: ATAXIA
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 5, Pg. 38, 1974.
rat LD50 oral 1050mg/kg (1050mg/kg) GASTROINTESTINAL: GASTRITIS

GASTROINTESTINAL: PERITONITIS
Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 618, 1970.
rat LD50 subcutaneous 750mg/kg (750mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 5, Pg. 38, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 92.5 deg C   EXP
pKa Dissociation Constant 4.5 (none)   EXP
log P (octanol-water) 2.48 (none)   EXP
Water Solubility 600 mg/L 25 EST
Vapor Pressure 2.12E-05 mm Hg 25 EST
Henry's Law Constant 2.55E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.97E-11 cm3/molecule-sec 25 EST

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