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Substance Name: 1-Azabicyclo(2.2.2)oct-2-ene-3-carboxylic acid, methyl ester
RN: 31539-88-5
InChIKey: SDEKJEJGZPSNFT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H13-N-O2

Molecular Weight

  • 167.207
 
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Names and Synonyms

Synonyms

  • 5-22-01-00447 (Beilstein Handbook Reference)
  • BRN 0132895
  • Dehydroquinuclidine-3-carboxylic acid

Systematic Name

  • 1-Azabicyclo(2.2.2)oct-2-ene-3-carboxylic acid, methyl ester

Registry Numbers

CAS Registry Number

  • 31539-88-5

System Generated Number

  • 0031539885

Structure Descriptors

InChI

1S/C9H13NO2/c1-12-9(11)8-6-10-4-2-7(8)3-5-10/h6-7H,2-5H2,1H3

InChIKey

SDEKJEJGZPSNFT-UHFFFAOYSA-N

Smiles

C=1(C2CCN(C1)CC2)C(OC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 19mg/kg (19mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Russian Pharmacology and Toxicology Vol. 35, Pg. 55, 1972.