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Substance Name: Acetic acid, bis(4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester
RN: 58327-26-7
InChIKey: LBAMKTMZRVORDC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H26-F2-O4

Molecular Weight

  • 404.4504
 
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Names and Synonyms

Synonyms

  • 3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate
  • Bis(4-fluorophenoxy)acetic acid 3,3,5-trimethylcyclohexyl ester
  • BRN 2308621

Systematic Name

  • Acetic acid, bis(4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester

Registry Numbers

CAS Registry Number

  • 58327-26-7

System Generated Number

  • 0058327267

Structure Descriptors

InChI

1S/C23H26F2O4/c1-15-12-20(14-23(2,3)13-15)27-21(26)22(28-18-8-4-16(24)5-9-18)29-19-10-6-17(25)7-11-19/h4-11,15,20,22H,12-14H2,1-3H3

InChIKey

LBAMKTMZRVORDC-UHFFFAOYSA-N

Smiles

CC1CC(CC(C1)(C)C)OC(=O)C(Oc2ccc(cc2)F)Oc3ccc(cc3)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1890mg/kg (1890mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 1686, 1975.