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Substance Name: 1-Azabicyclo(2.2.2)octan-3-one, 2-(1,3-benzodioxol-5-ylmethylene)-
RN: 111896-94-7
InChIKey: NGNUATHUAAONSD-GHXNOFRVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H15-N-O3

Molecular Weight

  • 257.288
 
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Names and Synonyms

Synonyms

  • 2-(1,3-Benzodioxol-5-ylmethylene)-1-azabicyclo(2.2.2)octan-3-one
  • 2-(3,4-Methylenedioxyphenylmethylene)-3-oxoquinuclidine
  • BRN 5754431

Systematic Name

  • 1-Azabicyclo(2.2.2)octan-3-one, 2-(1,3-benzodioxol-5-ylmethylene)-

Registry Numbers

CAS Registry Number

  • 111896-94-7

System Generated Number

  • 0111896947

Structure Descriptors

InChI

1S/C15H15NO3/c17-15-11-3-5-16(6-4-11)12(15)7-10-1-2-13-14(8-10)19-9-18-13/h1-2,7-8,11H,3-6,9H2/b12-7-

InChIKey

NGNUATHUAAONSD-GHXNOFRVSA-N

Smiles

C1(\N2CCC(C1=O)CC2)=C/c1cc2c(OCO2)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 195mg/kg (195mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Pharmaceutical Chemistry Journal Vol. 21, Pg. 484, 1987.