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Substance Name: Benzoic acid, 4-(2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy)-, ethyl ester
RN: 52161-02-1
InChIKey: SLADYQWVRRILLV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H19-Cl-O5

Molecular Weight

  • 362.807
 
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Names and Synonyms

Synonyms

  • 4-(2-(4-Chlorophenoxy)-2-methyl-1-oxopropoxy)benzoic acid ethyl ester
  • BRN 2896107
  • Ethyl 4-(2'-(4''-chlorophenoxy)isobutyryloxy)benzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 52161-02-1

System Generated Number

  • 0052161021

Structure Descriptors

InChI

1S/C19H19ClO5/c1-4-23-17(21)15-7-5-6-8-16(15)24-18(22)19(2,3)25-14-11-9-13(20)10-12-14/h5-12H,4H2,1-3H3

InChIKey

SLADYQWVRRILLV-UHFFFAOYSA-N

Smiles

c1(c(OC(C(Oc2ccc(Cl)cc2)(C)C)=O)cccc1)C(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2400mg/kg (2400mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 387, 1974.