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Substance Name: 2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-diethyl-
RN: 4177-72-4
InChIKey: VYRWKGJBKMJWMF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H16-O3

Molecular Weight

  • 172.222
 
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Names and Synonyms

Synonyms

  • 1,4-Diethyl-2,6,7-trioxabicyclo(2.2.2)octane
  • 3,6-Diethyl-1,5,7-trioxabicyclo(2.2.2)octane

Systematic Name

  • 2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-diethyl-

Registry Numbers

CAS Registry Number

  • 4177-72-4

System Generated Number

  • 0004177724

Structure Descriptors

InChI

1S/C9H16O3/c1-3-8-5-10-9(4-2,11-6-8)12-7-8/h3-7H2,1-2H3

InChIKey

VYRWKGJBKMJWMF-UHFFFAOYSA-N

Smiles

O1CC2(CC)COC1(OC2)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Toxicology and Applied Pharmacology. Vol. 36, Pg. 261, 1976.