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Substance Name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((3-methoxyphenyl)thio)methyl)-
RN: 143759-98-2
InChIKey: BQBYTJMWZWDPMV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H36-F2-N2-O2-S

Molecular Weight

  • 526.6884
 
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Names and Synonyms

Synonyms

  • 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(3-methoxyphenylthio)propyl)piperazine
  • 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-(((3-methoxyphenyl)thio)methyl)-1-piperazineethanol

Systematic Name

  • 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((3-methoxyphenyl)thio)methyl)-

Registry Numbers

CAS Registry Number

  • 143759-98-2

System Generated Number

  • 0143759982

Structure Descriptors

InChI

1S/C30H36F2N2O2S/c1-36-28-4-2-5-29(20-28)37-22-27(35)21-34-18-16-33(17-19-34)15-3-6-30(23-7-11-25(31)12-8-23)24-9-13-26(32)14-10-24/h2,4-5,7-14,20,27,30,35H,3,6,15-19,21-22H2,1H3

InChIKey

BQBYTJMWZWDPMV-UHFFFAOYSA-N

Smiles

COc1cccc(c1)SCC(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,