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Substance Name: Hexanoic acid, 2-ethyl-, 4-cyano-2,3,5,6-tetrachlorophenyl ester
RN: 67205-60-1
InChIKey: SOSVWGVOLPLCIV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H15-Cl4-N-O2

Molecular Weight

  • 383.1005
 
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Names and Synonyms

Synonyms

  • 4-Cyano-2,3,5,6-tetrachlorophenyl 2-ethylhexanoate
  • BRN 2600708

Systematic Name

  • Hexanoic acid, 2-ethyl-, 4-cyano-2,3,5,6-tetrachlorophenyl ester

Registry Numbers

CAS Registry Number

  • 67205-60-1

System Generated Number

  • 0067205601

Structure Descriptors

InChI

1S/C15H15Cl4NO2/c1-3-5-6-8(4-2)15(21)22-14-12(18)10(16)9(7-20)11(17)13(14)19/h8H,3-6H2,1-2H3

InChIKey

SOSVWGVOLPLCIV-UHFFFAOYSA-N

Smiles

CCCCC(CC)C(=O)Oc1c(c(c(c(c1Cl)Cl)C#N)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 906, 1978.