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Substance Name: 1-Bromopinacolone
RN: 5469-26-1
InChIKey: SAIRZMWXVJEBMO-UHFFFAOYSA-N

Note

  • Active-site directed covalent acetylcholinesterase inhib.

Molecular Formula

  • C6-H11-Br-O

Molecular Weight

  • 179.056
 
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Names and Synonyms

Name of Substance

  • 1-Bromopinacolone

Synonyms

  • 1-Bromo-3,3-dimethyl-2-butanone
  • 1-Bromopinacolin
  • 1-Bromopinacolone
  • 4-01-00-03314 (Beilstein Handbook Reference)
  • BRN 0506485
  • Bromomethyl tert-butyl ketone
  • Bromopinacolin
  • Bromopinacolone
  • EINECS 226-794-0
  • NSC 25307
  • omega- Brompinakolin
  • omega- Brompinakolin [German]
  • Pivaloylmethyl bromide
  • tert-Butyl bromomethyl ketone

Systematic Names

  • 1-Bromo-3,3-dimethylbutan-2-one
  • 2-Butanone, 1-bromo-3,3-dimethyl-

Registry Numbers

CAS Registry Number

  • 5469-26-1

System Generated Number

  • 0005469261

Structure Descriptors

InChI

1S/C6H11BrO/c1-6(2,3)5(8)4-7/h4H2,1-3H3

InChIKey

SAIRZMWXVJEBMO-UHFFFAOYSA-N

Smiles

C(C(CBr)=O)(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo subcutaneous 500mg/kg (500mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
"Studien uber die Pharmakologie des Pinakolins und einiger seiner Derivate mit besonderer Berucksichtigung der Kreislaufwirkung, Dissertation," Bang, L., Pharmakologischen Abteilung des Karolinischen Instituts, Stockholm, Sweden, 1934Vol. -, Pg. -, 1934.