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Substance Name: Piperazineethanol, 4-phenyl-, N-(7-trifluoromethoxy-4-quinolyl)anthranilate, dihydrochloride
RN: 51941-00-5
InChIKey: FOTABKXMECWJGJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H27-F3-N4-O3.2Cl-H

Molecular Weight

  • 609.4731
 
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Names and Synonyms

Synonym

  • 4-Phenylpiperazineethanol o-(7-trifluoromethoxy-4-quinolylamino)benzoate dihydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 51941-00-5

System Generated Number

  • 0051941005

Molecular Formulas

Molecular Formula

  • C29-H27-F3-N4-O3.2Cl-H

Molecular Formula Fragments

  • C29-H27-F3-N4-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H27F3N4O3.2ClH/c30-29(31,32)39-22-10-11-23-26(12-13-33-27(23)20-22)34-25-9-5-4-8-24(25)28(37)38-19-18-35-14-16-36(17-15-35)21-6-2-1-3-7-21;;/h1-13,20H,14-19H2,(H,33,34);2*1H

InChIKey

FOTABKXMECWJGJ-UHFFFAOYSA-N

Smiles

c1ccc(cc1)N2CCN(CC2)CCOC(=O)c3ccccc3Nc4ccnc5c4ccc(c5)OC(F)(F)F.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1300mg/kg (1300mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 22, Pg. 554, 1979.