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Substance Name: 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, benzoate (ester)
RN: 143760-32-1
InChIKey: RBPXLSRIMIAKOE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H38-F2-N2-O2-S

Molecular Weight

  • 600.7702
 
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Names and Synonyms

Synonym

  • 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-benzoxy-3-phenylthiopropyl)piperazine

Systematic Name

  • 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, benzoate (ester)

Registry Numbers

CAS Registry Number

  • 143760-32-1

System Generated Number

  • 0143760321

Structure Descriptors

InChI

1S/C36H38F2N2O2S/c37-31-17-13-28(14-18-31)35(29-15-19-32(38)20-16-29)12-7-21-39-22-24-40(25-23-39)26-33(27-43-34-10-5-2-6-11-34)42-36(41)30-8-3-1-4-9-30/h1-6,8-11,13-20,33,35H,7,12,21-27H2

InChIKey

RBPXLSRIMIAKOE-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(=O)OC(CN2CCN(CC2)CCCC(c3ccc(cc3)F)c4ccc(cc4)F)CSc5ccccc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5391552,