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Substance Name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((4-methoxyphenyl)thio)methyl)-
RN: 143759-96-0
InChIKey: NRDDOTNNYIPGQL-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-(4-methoxyphenylthio)propyl)piperazine
  • 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-(((4-methoxyphenyl)thio)methyl)-1-piperazineethanol

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 143759-96-0

System Generated Number

  • 0143759960

Structure Descriptors

InChI

1S/C30H36F2N2O2S/c1-36-28-12-14-29(15-13-28)37-22-27(35)21-34-19-17-33(18-20-34)16-2-3-30(23-4-8-25(31)9-5-23)24-6-10-26(32)11-7-24/h4-15,27,30,35H,2-3,16-22H2,1H3

InChIKey

NRDDOTNNYIPGQL-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)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,