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Substance Name: AI 3-01439
RN: 7780-20-3
InChIKey: MXXWOMGUGJBKIW-YPCIICBESA-N

Molecular Formula

  • C17-H19-N-O3

Molecular Weight

  • 285.3411
 
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Names and Synonyms

Results Name

  • AI 3-01439

Synonyms

  • 1-(5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)piperidine
  • AI3-01439
  • NSC 242267
  • Piperidine, 1-piperoyl-

Systematic Names

  • Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-
  • Piperidine, 1-(5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)-

Registry Numbers

CAS Registry Number

  • 7780-20-3

System Generated Number

  • 0007780203

Structure Descriptors

InChI

1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+

InChIKey

MXXWOMGUGJBKIW-YPCIICBESA-N

Smiles

C(N1CCCCC1)(\C=C/C=C\c1cc2OCOc2cc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 71mg/kg (71mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05220,