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Substance Name: Butanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 3,3,5-trimethylcyclohexyl ester
RN: 58327-22-3
InChIKey: GVRSNUHSBDXMRV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H29-Cl-O3

Molecular Weight

  • 352.8991
 
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Names and Synonyms

Synonyms

  • 2-(4-Chlorophenoxy)-2-methylbutanoic acid 3,3,5-trimethylcyclohexyl ester
  • BRN 2299688

Systematic Name

  • Butanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 3,3,5-trimethylcyclohexyl ester

Registry Numbers

CAS Registry Number

  • 58327-22-3

System Generated Number

  • 0058327223

Structure Descriptors

InChI

1S/C20H29ClO3/c1-6-20(5,24-16-9-7-15(21)8-10-16)18(22)23-17-11-14(2)12-19(3,4)13-17/h7-10,14,17H,6,11-13H2,1-5H3

InChIKey

GVRSNUHSBDXMRV-UHFFFAOYSA-N

Smiles

CCC(C)(C(=O)OC1CC(CC(C1)(C)C)C)Oc2ccc(cc2)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 5gm/kg (5000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 1686, 1975.