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Substance Name: Propanoic acid, 2-(4-chlorophenoxy)-, 3,3,5-trimethylcyclohexyl ester
RN: 58327-11-0
InChIKey: ZRQIJNNWPFPQCF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H25-Cl-O3

Molecular Weight

  • 324.8455
 
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Names and Synonyms

Synonyms

  • 2-(4-Chlorophenoxy)propanoic acid 3,3,5-trimethylcyclohexyl ester
  • BRN 2290643

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 58327-11-0

System Generated Number

  • 0058327110

Structure Descriptors

InChI

1S/C18H25ClO3/c1-12-9-16(11-18(3,4)10-12)22-17(20)13(2)21-15-7-5-14(19)6-8-15/h5-8,12-13,16H,9-11H2,1-4H3

InChIKey

ZRQIJNNWPFPQCF-UHFFFAOYSA-N

Smiles

CC1CC(CC(C1)(C)C)OC(=O)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.