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Substance Name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((diphenylamino)methyl)-, dihydrochloride
RN: 143760-27-4
InChIKey: QBHSCOJAZFGRMB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C35-H39-F2-N3-O.2Cl-H

Molecular Weight

  • 628.6309
 
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Names and Synonyms

Synonym

  • 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(3-diphenylamino-2-hydroxypropyl)piperazine 2HCl

Systematic Name

  • 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((diphenylamino)methyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 143760-27-4

System Generated Number

  • 0143760274

Molecular Formulas

Molecular Formula

  • C35-H39-F2-N3-O.2Cl-H

Molecular Formula Fragments

  • C35-H39-F2-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C35H39F2N3O.2ClH/c36-30-17-13-28(14-18-30)35(29-15-19-31(37)20-16-29)12-7-21-38-22-24-39(25-23-38)26-34(41)27-40(32-8-3-1-4-9-32)33-10-5-2-6-11-33;;/h1-6,8-11,13-20,34-35,41H,7,12,21-27H2;2*1H

InChIKey

QBHSCOJAZFGRMB-UHFFFAOYSA-N

Smiles

c1ccc(cc1)N(CC(CN2CCN(CC2)CCCC(c3ccc(cc3)F)c4ccc(cc4)F)O)c5ccccc5.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5391552,