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Substance Name: Propanoic acid, 2-methyl-2-(3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester
RN: 58327-23-4
InChIKey: ZQIKVVUTIPPKNE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-F3-O3

Molecular Weight

  • 372.4243
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-(3-(trifluoromethyl)phenoxy)propanoic acid 3,3,5-trimethylcyclohexyl ester
  • 3,3,5-Trimethylcyclohexyl 2-methyl-2-(3-(trifluoromethyl)phenoxy)propanoate
  • BRN 2306362

Systematic Name

  • Propanoic acid, 2-methyl-2-(3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester

Registry Numbers

CAS Registry Number

  • 58327-23-4

System Generated Number

  • 0058327234

Structure Descriptors

InChI

1S/C20H27F3O3/c1-13-9-16(12-18(2,3)11-13)25-17(24)19(4,5)26-15-8-6-7-14(10-15)20(21,22)23/h6-8,10,13,16H,9,11-12H2,1-5H3

InChIKey

ZQIKVVUTIPPKNE-UHFFFAOYSA-N

Smiles

CC1CC(CC(C1)(C)C)OC(=O)C(C)(C)Oc2cccc(c2)C(F)(F)F

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.