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Substance Name: Benzoic acid, 2-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, butyl ester
RN: 52160-88-0
InChIKey: AMWSXBGXDAYRFW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-Cl-O5

Molecular Weight

  • 390.861
 
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Names and Synonyms

Synonyms

  • 2-(2-(4-Chlorophenoxy)-2-methyl-1-oxopropoxy)benzoic acid butyl ester
  • BRN 2896566
  • Butyl 2-(2'-(4''-chlorophenoxy)isobutyryloxy)benzoate

Systematic Name

  • Benzoic acid, 2-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, butyl ester

Registry Numbers

CAS Registry Number

  • 52160-88-0

System Generated Number

  • 0052160880

Structure Descriptors

InChI

1S/C21H23ClO5/c1-4-5-14-25-19(23)17-8-6-7-9-18(17)26-20(24)21(2,3)27-16-12-10-15(22)11-13-16/h6-13H,4-5,14H2,1-3H3

InChIKey

AMWSXBGXDAYRFW-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C(OCCCC)=O)OC(C(Oc1ccc(Cl)cc1)(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 8500mg/kg (8500mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 387, 1974.