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Substance Name: Isovaleric acid, 2-bromo-, 1,1,1-trichloroisopropyl ester
RN: 64059-37-6
InChIKey: XUWCEPTXFCXEEX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H12-Br-Cl3-O2

Molecular Weight

  • 326.444
 
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Names and Synonyms

Synonyms

  • 2-Bromoisovaleric acid, ester with trichlorisopropanol
  • Trichloroisopropyl 2-bromoisovalerate

Systematic Name

  • Isovaleric acid, 2-bromo-, 1,1,1-trichloroisopropyl ester

Registry Numbers

CAS Registry Number

  • 64059-37-6

System Generated Number

  • 0064059376

Structure Descriptors

InChI

1S/C8H12BrCl3O2/c1-4(2)6(9)7(13)14-5(3)8(10,11)12/h4-6H,1-3H3

InChIKey

XUWCEPTXFCXEEX-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1200mg/kg (1200mg/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.