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Substance Name: Piperazine, 1-((4-chlorophenyl)sulfonyl)-4-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-
RN: 72141-56-1
InChIKey: HVICCLWOVOURCK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H22-Cl-F3-N4-O3-S

Molecular Weight

  • 575.009
 
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Names and Synonyms

Synonyms

  • 1-((4-Chlorophenyl)sulfonyl)-4-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)piperazine
  • BRN 6257179

Systematic Name

  • Piperazine, 1-((4-chlorophenyl)sulfonyl)-4-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-

Registry Numbers

CAS Registry Number

  • 72141-56-1

System Generated Number

  • 0072141561

Structure Descriptors

InChI

1S/C27H22ClF3N4O3S/c28-20-4-8-22(9-5-20)39(37,38)35-15-13-34(14-16-35)26(36)18-1-6-21(7-2-18)33-24-11-12-32-25-17-19(27(29,30)31)3-10-23(24)25/h1-12,17H,13-16H2,(H,32,33)

InChIKey

HVICCLWOVOURCK-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)S(N1CCN(C(c2ccc(Nc3c4c(cc(C(F)(F)F)cc4)ncc3)cc2)=O)CC1)(=O)=O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3160mg/kg (3160mg/kg)   Journal of Medicinal Chemistry. Vol. 29, Pg. 133, 1986.