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Substance Name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((2-phenylethyl)amino)methyl)-
RN: 143759-65-3
InChIKey: JBBFXPPYJQTTCO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H39-F2-N3-O

Molecular Weight

  • 507.6651
 
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Names and Synonyms

Synonyms

  • 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(2-phenylethylamino)propyl)piperazine
  • 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-(((2-phenylethyl)amino)methyl)-1-piperazineethanol

Systematic Name

  • 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((2-phenylethyl)amino)methyl)-

Registry Numbers

CAS Registry Number

  • 143759-65-3

System Generated Number

  • 0143759653

Structure Descriptors

InChI

1S/C31H39F2N3O/c32-28-12-8-26(9-13-28)31(27-10-14-29(33)15-11-27)7-4-18-35-19-21-36(22-20-35)24-30(37)23-34-17-16-25-5-2-1-3-6-25/h1-3,5-6,8-15,30-31,34,37H,4,7,16-24H2

InChIKey

JBBFXPPYJQTTCO-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CCNCC(CN2CCN(CC2)CCCC(c3ccc(cc3)F)c4ccc(cc4)F)O

Toxicity

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