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Substance Name: Butanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-ethyl-, ethyl ester
RN: 71548-66-8
InChIKey: NQMLVWOMBRNFAB-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

  • BRN 2009806
  • Ethyl 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-ethylbutanoate
  • Sgd 75-75

Systematic Name

  • Butanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-ethyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 71548-66-8

System Generated Number

  • 0071548668

Structure Descriptors

InChI

1S/C21H25ClO3/c1-4-21(5-2,20(23)24-6-3)25-19-13-9-17(10-14-19)15-16-7-11-18(22)12-8-16/h7-14H,4-6,15H2,1-3H3

InChIKey

NQMLVWOMBRNFAB-UHFFFAOYSA-N

Smiles

CCC(CC)(C(=O)OCC)Oc1ccc(cc1)Cc2ccc(cc2)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3gm/kg (3000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 711, 1979.