Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Clopirac [USAN:INN:BAN]
RN: 42779-82-8
UNII: J23127WJYB
InChIKey: SJCRQMUYEQHNTC-UHFFFAOYSA-N

Classification Codes

  • Anti-Inflammatory
  • Antirheumatic
  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H14-Cl-N-O2

Molecular Weight

  • 263.723
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Clopirac
  • Clopirac [USAN:INN:BAN]

Synonyms

  • 1-(4-Chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-acetic acid
  • 1-(4-Chlorphenyl)-2,5-dimethylpyrrol-3-assigsaeure
  • 1-(p-Chlorophenyl)-2,5-dimethylpyrrole-3-acetic acid
  • 5-22-01-00441 (Beilstein Handbook Reference)
  • BRL 13856
  • BRN 0480479
  • Clopirac
  • Clopiraco
  • Clopiraco [INN-Spanish]
  • Clopiracum
  • Clopiracum [INN-Latin]
  • CP 172 AP
  • CP 172AP
  • EINECS 255-938-5
  • UNII-J23127WJYB

Systematic Names

  • 1-p-Chlorophenyl-2,5-dimethyl-3-pyrroleacetic acid
  • 1H-Pyrrole-3-acetic acid, 1-(4-chlorophenyl)-2,5-dimethyl-
  • Clopirac

Superlist Name

  • BRL 13856

Registry Numbers

CAS Registry Number

  • 42779-82-8

FDA UNII

  • J23127WJYB

System Generated Number

  • 0042779828

Structure Descriptors

InChI

1S/C14H14ClNO2/c1-9-7-11(8-14(17)18)10(2)16(9)13-5-3-12(15)4-6-13/h3-7H,8H2,1-2H3,(H,17,18)

InChIKey

SJCRQMUYEQHNTC-UHFFFAOYSA-N

Smiles

n1(c2ccc(Cl)cc2)c(c(CC(O)=O)cc1C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 780mg/kg (780mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 173, 1976.
mouse LD50 oral 780mg/kg (780mg/kg) BEHAVIORAL: ANALGESIA European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 173, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.820 (none)   EST
Atmospheric OH Rate Constant 2.01E-10 cm3/molecule-sec 25 EST

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