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Substance Name: Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 3,3,5-trimethylcyclohexyl ester
RN: 58327-14-3
InChIKey: IIDBOOYTZBNAEW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H25-F3-O3

Molecular Weight

  • 358.3975
 
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Names and Synonyms

Synonyms

  • 2-(3-(Trifluoromethyl)phenoxy)propanoic acid 3,3,5-trimethylcyclohexyl ester
  • BRN 2303125

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 58327-14-3

System Generated Number

  • 0058327143

Structure Descriptors

InChI

1S/C19H25F3O3/c1-12-8-16(11-18(3,4)10-12)25-17(23)13(2)24-15-7-5-6-14(9-15)19(20,21)22/h5-7,9,12-13,16H,8,10-11H2,1-4H3

InChIKey

IIDBOOYTZBNAEW-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 4gm/kg (4000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 1686, 1975.