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Substance Name: Butanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methyl-, 1,1-dimethylethyl ester, (+-)-
RN: 71548-97-5
InChIKey: VHEVMAOATVNFCY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-Cl-O3

Molecular Weight

  • 374.9053
 
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Names and Synonyms

Synonyms

  • BRN 3003845
  • Sgd 88-75

Systematic Name

  • Butanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methyl-, 1,1-dimethylethyl ester, (+-)-

Registry Numbers

CAS Registry Number

  • 71548-97-5

System Generated Number

  • 0071548975

Structure Descriptors

InChI

1S/C22H27ClO3/c1-6-22(5,20(24)26-21(2,3)4)25-19-13-9-17(10-14-19)15-16-7-11-18(23)12-8-16/h7-14H,6,15H2,1-5H3

InChIKey

VHEVMAOATVNFCY-UHFFFAOYSA-N

Smiles

CCC(C)(C(=O)OC(C)(C)C)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.