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Substance Name: Butanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methyl-, 2-methylpropyl ester, (+-)-
RN: 71548-96-4
InChIKey: WNPNRVRHLPEBJF-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

  • 2-Methylpropyl (+-)-2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methylbutanoate
  • BRN 3006162
  • Sgd 205-76

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 71548-96-4

System Generated Number

  • 0071548964

Structure Descriptors

InChI

1S/C22H27ClO3/c1-5-22(4,21(24)25-15-16(2)3)26-20-12-8-18(9-13-20)14-17-6-10-19(23)11-7-17/h6-13,16H,5,14-15H2,1-4H3

InChIKey

WNPNRVRHLPEBJF-UHFFFAOYSA-N

Smiles

CCC(C)(C(=O)OCC(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.