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Substance Name: Piperazineethanol, 4-(3-trifluoromethylthio)phenyl-, N-(7-trifluoromethylthio-4-quinolyl)anthranilate, dihydrochloride
RN: 69847-93-4
InChIKey: KKPPYJWZMAPGPO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H26-F6-N4-O2-S2.2Cl-H

Molecular Weight

  • 725.6032
 
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Names and Synonyms

  • Piperazineethanol, 4-(3-trifluoromethylthio)phenyl-, N-(7-trifluoromethylthio-4-quinolyl)anthranilate, dihydrochloride

Registry Numbers

CAS Registry Number

  • 69847-93-4

System Generated Number

  • 0069847934

Molecular Formulas

Molecular Formula

  • C30-H26-F6-N4-O2-S2.2Cl-H

Molecular Formula Fragments

  • C30-H26-F6-N4-O2-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H26F6N4O2S2.2ClH/c31-29(32,33)43-21-5-3-4-20(18-21)40-14-12-39(13-15-40)16-17-42-28(41)24-6-1-2-7-25(24)38-26-10-11-37-27-19-22(8-9-23(26)27)44-30(34,35)36;;/h1-11,18-19H,12-17H2,(H,37,38);2*1H

InChIKey

KKPPYJWZMAPGPO-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C(=O)OCCN2CCN(CC2)c3cccc(c3)SC(F)(F)F)Nc4ccnc5c4ccc(c5)SC(F)(F)F.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2200mg/kg (2200mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 22, Pg. 554, 1979.