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Substance Name: Valeric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, ethyl ester, (+-)-
RN: 71548-64-6
InChIKey: KTCPMWICTNGDJU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-Cl-O3

Molecular Weight

  • 360.8785
 
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Names and Synonyms

Synonyms

  • (+-)-2-(4-(4-Chlorobenzyl)phenoxy)-2-methylvaleric acid ethyl ester
  • (+-)-Ethyl 2-(4-(4-chlorobenzyl)phenoxy)-2-methylvalerate
  • BRN 2008772
  • Sgd 334-74

Systematic Name

  • Valeric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, ethyl ester, (+-)-

Registry Numbers

CAS Registry Number

  • 71548-64-6

System Generated Number

  • 0071548646

Structure Descriptors

InChI

1S/C21H25ClO3/c1-4-14-21(3,20(23)24-5-2)25-19-12-8-17(9-13-19)15-16-6-10-18(22)11-7-16/h6-13H,4-5,14-15H2,1-3H3

InChIKey

KTCPMWICTNGDJU-UHFFFAOYSA-N

Smiles

CCCC(C)(C(=O)OCC)Oc1ccc(cc1)Cc2ccc(cc2)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 5400mg/kg (5400mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 711, 1979.