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Substance Name: Isovaleric acid, 2-bromo-, 2,2,2-trichloroethyl ester
RN: 64047-48-9
InChIKey: QLWAWPABINQVLJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H10-Br-Cl3-O2

Molecular Weight

  • 312.417
 
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Names and Synonyms

Synonyms

  • 2-Bromoisovaleric acid, ester with trichloroethanol
  • Trichloroethyl 2-bromoisovalerate

Systematic Name

  • Isovaleric acid, 2-bromo-, 2,2,2-trichloroethyl ester

Registry Numbers

CAS Registry Number

  • 64047-48-9

System Generated Number

  • 0064047489

Structure Descriptors

InChI

1S/C7H10BrCl3O2/c1-4(2)5(8)6(12)13-3-7(9,10)11/h4-5H,3H2,1-2H3

InChIKey

QLWAWPABINQVLJ-UHFFFAOYSA-N

Smiles

C(COC([C@@H](C(C)C)Br)=O)(Cl)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1500mg/kg (1500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE WEAKNESS
Journal of Pharmacology and Experimental Therapeutics. Vol. 63, Pg. 183, 1938.