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Substance Name: 1-Piperazineethanol, 4-(bis(4-fluorophenyl)methyl)-alpha-(((4-methoxyphenyl)thio)methyl)-
RN: 143760-08-1
InChIKey: IZWVDXDMAPPAIW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H30-F2-N2-O2-S

Molecular Weight

  • 484.608
 
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Names and Synonyms

Synonyms

  • 1-(Bis(4-fluorophenyl)methyl)-4-(2-hydroxy-3-(4-methoxyphenyl)thiopropyl)piperazine
  • 4-(Bis(4-fluorophenyl)methyl)-alpha-(((4-methoxyphenyl)thio)methyl)-1-piperazineethanol

Systematic Name

  • 1-Piperazineethanol, 4-(bis(4-fluorophenyl)methyl)-alpha-(((4-methoxyphenyl)thio)methyl)-

Registry Numbers

CAS Registry Number

  • 143760-08-1

System Generated Number

  • 0143760081

Structure Descriptors

InChI

1S/C27H30F2N2O2S/c1-33-25-10-12-26(13-11-25)34-19-24(32)18-30-14-16-31(17-15-30)27(20-2-6-22(28)7-3-20)21-4-8-23(29)9-5-21/h2-13,24,27,32H,14-19H2,1H3

InChIKey

IZWVDXDMAPPAIW-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)SCC(CN2CCN(CC2)C(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,