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Substance Name: Butyric acid, 2-ethyl-, 1,1,1-trichloroisopropyl ester
RN: 63867-07-2
InChIKey: VEXVHEBQGLIYEH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H15-Cl3-O2

Molecular Weight

  • 261.574
 
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Names and Synonyms

Synonyms

  • 2-Ethylbutyric acid, ester with trichloroisopropanol
  • Trichloroisopropyl 2-ethylbutyrate

Systematic Name

  • Butyric acid, 2-ethyl-, 1,1,1-trichloroisopropyl ester

Registry Numbers

CAS Registry Number

  • 63867-07-2

System Generated Number

  • 0063867072

Structure Descriptors

InChI

1S/C9H15Cl3O2/c1-4-7(5-2)8(13)14-6(3)9(10,11)12/h6-7H,4-5H2,1-3H3

InChIKey

VEXVHEBQGLIYEH-UHFFFAOYSA-N

Smiles

C([C@@H](OC(C(CC)CC)=O)C)(Cl)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2gm/kg (2000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Pharmacology and Experimental Therapeutics. Vol. 63, Pg. 183, 1938.