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Substance Name: Isonipecotic acid, 1-allyl-4-phenyl-, ethyl ester
RN: 2372-70-5
InChIKey: YUNKDDDGCRLMAF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H23-N-O2

Molecular Weight

  • 273.374
 
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Names and Synonyms

Synonyms

  • 1-Allyl-4-phenyl-4-carbethoxypiperidine
  • 1-Allyl-4-phenylisonipecotic acid ethyl ester
  • 4-22-00-01009 (Beilstein Handbook Reference)
  • BRN 0249362
  • WIN 7681

Systematic Name

  • Isonipecotic acid, 1-allyl-4-phenyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 2372-70-5

System Generated Number

  • 0002372705

Structure Descriptors

InChI

1S/C17H23NO2/c1-3-12-18-13-10-17(11-14-18,16(19)20-4-2)15-8-6-5-7-9-15/h3,5-9H,1,4,10-14H2,2H3

InChIKey

YUNKDDDGCRLMAF-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(CCN(CC=C)CC1)C(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 26mg/kg (26mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 113, Pg. 310, 1955.