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Substance Name: Piperazineethanol, 4-(3-(trifluoromethylthio)phenyl)-, N-(7-trifluoromethyl-4-quinolyl)anthranilate, dihydrochloride
RN: 55300-43-1
InChIKey: LXEHEGSSDGRIII-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H26-F6-N4-O2-S.2Cl-H

Molecular Weight

  • 693.5372
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 55300-43-1

System Generated Number

  • 0055300431

Molecular Formulas

Molecular Formula

  • C30-H26-F6-N4-O2-S.2Cl-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C30H26F6N4O2S.2ClH/c31-29(32,33)20-8-9-23-26(10-11-37-27(23)18-20)38-25-7-2-1-6-24(25)28(41)42-17-16-39-12-14-40(15-13-39)21-4-3-5-22(19-21)43-30(34,35)36;;/h1-11,18-19H,12-17H2,(H,37,38);2*1H

InChIKey

LXEHEGSSDGRIII-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3750mg/kg (3750mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 22, Pg. 554, 1979.