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Substance Name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((((4-methoxyphenyl)methyl)thio)methyl)-
RN: 143760-18-3
InChIKey: IDLWBIFKYUCPDU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H38-F2-N2-O2-S

Molecular Weight

  • 540.7152
 
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Names and Synonyms

Synonym

  • 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-methoxyphenylmethylthio)propyl)piperazine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 143760-18-3

System Generated Number

  • 0143760183

Structure Descriptors

InChI

1S/C31H38F2N2O2S/c1-37-30-14-4-24(5-15-30)22-38-23-29(36)21-35-19-17-34(18-20-35)16-2-3-31(25-6-10-27(32)11-7-25)26-8-12-28(33)13-9-26/h4-15,29,31,36H,2-3,16-23H2,1H3

InChIKey

IDLWBIFKYUCPDU-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)CSCC(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,