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Substance Name: 1-Penten-3-one, 4-methyl-1-(3,4-methylenedioxyphenyl)-5-(4-methyl-1-piperazinyl)-
RN: 66596-45-0
InChIKey: AQNFQYIAWPDOTC-HWKANZROSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H24-N2-O3

Molecular Weight

  • 316.3986
 
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Names and Synonyms

Synonyms

  • 1-Penten-3-one, 1-(1,3-benzodioxol-5-yl)-4-methyl-5-(4-methyl-1-piperazinyl)-
  • 4-Methyl-1-(3,4-methylenedioxyphenyl)-5-(4-methyl-1-piperazinyl)-1-penten-3-one
  • 5-23-02-00546 (Beilstein Handbook Reference)
  • BRN 0829519

Systematic Name

  • 1-Penten-3-one, 4-methyl-1-(3,4-methylenedioxyphenyl)-5-(4-methyl-1-piperazinyl)-

Registry Numbers

CAS Registry Number

  • 66596-45-0

System Generated Number

  • 0066596450

Structure Descriptors

InChI

1S/C18H24N2O3/c1-14(12-20-9-7-19(2)8-10-20)16(21)5-3-15-4-6-17-18(11-15)23-13-22-17/h3-6,11,14H,7-10,12-13H2,1-2H3/b5-3+

InChIKey

AQNFQYIAWPDOTC-HWKANZROSA-N

Smiles

CC(CN1CCN(CC1)C)C(=O)/C=C/c2ccc3c(c2)OCO3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 41, 1978.