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Substance Name: 1-Piperazineethanol, 4-(1-(4-fluorophenyl)-5-(trifluoromethyl)-1H-indol-3-yl)-
RN: 106516-68-1
InChIKey: NCZRXRGIUPSHIH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-F4-N3-O

Molecular Weight

  • 407.4089
 
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Names and Synonyms

Synonyms

  • 1-(4'-Fluorophenyl)-3-(4-(2-hydroxyethyl)-1-piperazinyl)-5-trifluoromethyl-1H-indole
  • 4-(1-(4-Fluorophenyl)-5-(trifluoromethyl)-1H-indol-3-yl)-1-piperazineethanol
  • Lu 21-152

Systematic Name

  • 1-Piperazineethanol, 4-(1-(4-fluorophenyl)-5-(trifluoromethyl)-1H-indol-3-yl)-

Registry Numbers

CAS Registry Number

  • 106516-68-1

System Generated Number

  • 0106516681

Structure Descriptors

InChI

1S/C21H21F4N3O/c22-16-2-4-17(5-3-16)28-14-20(27-9-7-26(8-10-27)11-12-29)18-13-15(21(23,24)25)1-6-19(18)28/h1-6,13-14,29H,7-12H2

InChIKey

NCZRXRGIUPSHIH-UHFFFAOYSA-N

Smiles

c1cc(ccc1n2cc(c3c2ccc(c3)C(F)(F)F)N4CCN(CC4)CCO)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 59891ug/kg (59.891mg/kg)   United States Reissue Patent Document. Vol. #RE34299,