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Substance Name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((1-naphthalenylthio)methyl)-
RN: 143760-10-5
InChIKey: KCRLWBXSIQLNJB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H36-F2-N2-O-S

Molecular Weight

  • 546.7224
 
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Names and Synonyms

Synonyms

  • 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(1-naphthylthio)propyl)piperazine
  • 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((1-naphthalenylthio)methyl)-1-piperazineethanol

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 143760-10-5

System Generated Number

  • 0143760105

Structure Descriptors

InChI

1S/C33H36F2N2OS/c34-28-14-10-26(11-15-28)31(27-12-16-29(35)17-13-27)8-4-18-36-19-21-37(22-20-36)23-30(38)24-39-33-9-3-6-25-5-1-2-7-32(25)33/h1-3,5-7,9-17,30-31,38H,4,8,18-24H2

InChIKey

KCRLWBXSIQLNJB-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)cccc2SCC(CN3CCN(CC3)CCCC(c4ccc(cc4)F)c5ccc(cc5)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,