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Substance Name: Benzoic acid, 2-((4-(4-(4-fluorophenyl)-4-oxobutyl)-1-piperazinyl)carbonyl)-, dihydrate
RN: 65348-43-8
InChIKey: JWWWXGIMARZDKO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H23-F-N2-O4

Molecular Weight

  • 398.4317
 
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Names and Synonyms

Synonyms

  • 2-((4-(4-(4-Fluorophenyl)-4-oxobutyl)-1-piperazinyl)carbonyl)benzoic acid dihydrate
  • 5-23-02-00208 (Beilstein Handbook Reference)
  • BRN 0852097

Systematic Name

  • Benzoic acid, 2-((4-(4-(4-fluorophenyl)-4-oxobutyl)-1-piperazinyl)carbonyl)-, dihydrate

Registry Numbers

CAS Registry Number

  • 65348-43-8

System Generated Number

  • 0065348438

Structure Descriptors

InChI

1S/C22H23FN2O4/c23-17-9-7-16(8-10-17)20(26)6-3-11-24-12-14-25(15-13-24)21(27)18-4-1-2-5-19(18)22(28)29/h1-2,4-5,7-10H,3,6,11-15H2,(H,28,29)

InChIKey

JWWWXGIMARZDKO-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C(=O)N2CCN(CC2)CCCC(=O)c3ccc(cc3)F)C(=O)O

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.