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Substance Name: 2,3-Dihydroxyalclofenac
RN: 41451-01-8
InChIKey: FWBDSMMEVOJFAT-UHFFFAOYSA-N

Note

  • Metabolite of alclofenac.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H13-Cl-O5

Molecular Weight

  • 260.672
 
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Names and Synonyms

Name of Substance

  • 2,3-Dihydroxyalclofenac

Synonyms

  • 3-Chloro-4-(2,3-dihydroxypropoxy)benzeneacetic acid
  • 3-Chloro-4-(gamma,beta-dihydroxypropoxy)phenylacetic acid
  • 4-(2,3-Dihydroxypropyloxy)-3-chlorophenylacetic acid

Systematic Name

  • Benzeneacetic acid, 3-chloro-4-(2,3-dihydroxypropoxy)-

Registry Numbers

CAS Registry Number

  • 41451-01-8

System Generated Number

  • 0041451018

Structure Descriptors

InChI

1S/C11H13ClO5/c12-9-3-7(4-11(15)16)1-2-10(9)17-6-8(14)5-13/h1-3,8,13-14H,4-6H2,(H,15,16)

InChIKey

FWBDSMMEVOJFAT-UHFFFAOYSA-N

Smiles

c1(cc(c(cc1)OC[C@@H](CO)O)Cl)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 4gm/kg (4000mg/kg)   Drugs under Experimental and Clinical Research. Vol. 2, Pg. 9, 1977.
rat LD50 intravenous > 3930mg/kg (3930mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 17, Pg. 2087, 1975.
rat LD50 oral > 15gm/kg (15000mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 17, Pg. 2087, 1975.