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Substance Name: 1H-Inden-1-one, 2,3-dihydro-4-chloro-2-((4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)methylene)-
RN: 65201-33-4
InChIKey: VVLLHKVGIRDTKW-BUHFOSPRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H18-Cl-F3-N2-O

Molecular Weight

  • 406.8332
 
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Names and Synonyms

Synonyms

  • 2,3-Dihydro-4-chloro-2-((4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)methylene)-1H-inden-1-one
  • 5-23-02-00226 (Beilstein Handbook Reference)
  • BRN 0856476

Systematic Name

  • 1H-Inden-1-one, 2,3-dihydro-4-chloro-2-((4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)methylene)-

Registry Numbers

CAS Registry Number

  • 65201-33-4

System Generated Number

  • 0065201334

Structure Descriptors

InChI

1S/C21H18ClF3N2O/c22-19-6-2-5-17-18(19)11-14(20(17)28)13-26-7-9-27(10-8-26)16-4-1-3-15(12-16)21(23,24)25/h1-6,12-13H,7-11H2/b14-13+

InChIKey

VVLLHKVGIRDTKW-BUHFOSPRSA-N

Smiles

c1cc(cc(c1)N2CCN(CC2)/C=C/3\Cc4c(cccc4Cl)C3=O)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 15, Pg. 641, 1977.