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Substance Name: Acetic acid, (3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester
RN: 17564-81-7
InChIKey: GNZUTADJQOWUFX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-F3-O3

Molecular Weight

  • 344.371
 
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Names and Synonyms

Synonyms

  • (3-(Trifluoromethyl)phenoxy)acetic acid 3,3,5-trimethylcyclohexyl ester
  • BRN 2008996

Systematic Name

  • Acetic acid, (3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester

Registry Numbers

CAS Registry Number

  • 17564-81-7

System Generated Number

  • 0017564817

Structure Descriptors

InChI

1S/C18H23F3O3/c1-12-7-15(10-17(2,3)9-12)24-16(22)11-23-14-6-4-5-13(8-14)18(19,20)21/h4-6,8,12,15H,7,9-11H2,1-3H3

InChIKey

GNZUTADJQOWUFX-UHFFFAOYSA-N

Smiles

C1[C@@H](C[C@@H](C)CC1(C)C)OC(COc1cc(ccc1)C(F)(F)F)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 3gm/kg (3000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 1686, 1975.