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Substance Name: Butanoic acid, 2-(4-chlorophenoxy)-3-methyl-, 3,3,5-trimethylcyclohexyl ester
RN: 58327-21-2
InChIKey: XAPVTZHHVLCGPK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H29-Cl-O3

Molecular Weight

  • 352.8991
 
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Names and Synonyms

Synonyms

  • 2-(4-Chlorophenoxy)-3-methylbutanoic acid 3,3,5-trimethylcyclohexyl ester
  • BRN 2294774

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 58327-21-2

System Generated Number

  • 0058327212

Structure Descriptors

InChI

1S/C20H29ClO3/c1-13(2)18(23-16-8-6-15(21)7-9-16)19(22)24-17-10-14(3)11-20(4,5)12-17/h6-9,13-14,17-18H,10-12H2,1-5H3

InChIKey

XAPVTZHHVLCGPK-UHFFFAOYSA-N

Smiles

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