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Substance Name: Butanoic acid, 2-(4-((4-chlorophenyl)methyl)-2-methylphenoxy)-2-methyl-, ethyl ester, (+-)-
RN: 71549-00-3
InChIKey: FBHCVHMWUZIFGO-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 3005391
  • Ethyl (+-)-2-(4-((4-chlorophenyl)methyl)-2-methylphenoxy)-2-methylbutanoate
  • Sgd 304-75

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 71549-00-3

System Generated Number

  • 0071549003

Structure Descriptors

InChI

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

InChIKey

FBHCVHMWUZIFGO-UHFFFAOYSA-N

Smiles

CCC(C)(C(=O)OCC)Oc1ccc(cc1C)Cc2ccc(cc2)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 10gm/kg (10000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 711, 1979.