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Substance Name: Propionic acid, 2-(3-chloro-4-isobutylphenyl)-
RN: 58880-41-4
InChIKey: ZHJFTHAIVITSPS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-Cl-O2

Molecular Weight

  • 240.7283
 
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Names and Synonyms

Synonyms

  • 2-(3-Chloro-4-isobutylphenyl)propionic acid
  • Benzeneacetic acid, 3-chloro-alpha-methyl-4-(2-methylpropyl)-
  • TAI 255

Systematic Name

  • Propionic acid, 2-(3-chloro-4-isobutylphenyl)-

Registry Numbers

CAS Registry Number

  • 58880-41-4

System Generated Number

  • 0058880414

Structure Descriptors

InChI

1S/C13H17ClO2/c1-8(2)6-11-5-4-10(7-12(11)14)9(3)13(15)16/h4-5,7-9H,6H2,1-3H3,(H,15,16)

InChIKey

ZHJFTHAIVITSPS-UHFFFAOYSA-N

Smiles

CC(C)Cc1ccc(cc1Cl)C(C)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. Vol. 34, Pg. 467, 1975.