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Substance Name: 1-Piperazinebutanoic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-gamma-oxo-
RN: 56707-96-1
InChIKey: BGTAYWDQYQIYLL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-F-N2-O4

Molecular Weight

  • 350.3877
 
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Names and Synonyms

Synonyms

  • 1-(3-(4-Fluorobenzoyl)propyl)-4-(3-carboxypropionyl)piperazine
  • 4-(4-(4-Fluorophenyl)-4-oxobutyl)-gamma-oxo-1-piperazinebutanoic acid
  • 5-23-02-00208 (Beilstein Handbook Reference)
  • BRN 0842897

Systematic Name

  • 1-Piperazinebutanoic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-gamma-oxo-

Registry Numbers

CAS Registry Number

  • 56707-96-1

System Generated Number

  • 0056707961

Structure Descriptors

InChI

1S/C18H23FN2O4/c19-15-5-3-14(4-6-15)16(22)2-1-9-20-10-12-21(13-11-20)17(23)7-8-18(24)25/h3-6H,1-2,7-13H2,(H,24,25)

InChIKey

BGTAYWDQYQIYLL-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(=O)CCCN2CCN(CC2)C(=O)CCC(=O)O)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2500mg/kg (2500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 1218, 1975.