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Substance Name: Piperazine 1-(4,4-bis(4-fluorophenyl)butyl)-4-(2-methoxy-3-(phenylthio)propyl)-
RN: 143759-68-6
InChIKey: MLTMTBFVYXFOGY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H36-F2-N2-O-S

Molecular Weight

  • 510.6894
 
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Names and Synonyms

Synonym

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

Systematic Name

  • Piperazine 1-(4,4-bis(4-fluorophenyl)butyl)-4-(2-methoxy-3-(phenylthio)propyl)-

Registry Numbers

CAS Registry Number

  • 143759-68-6

System Generated Number

  • 0143759686

Structure Descriptors

InChI

1S/C30H36F2N2OS/c1-35-28(23-36-29-6-3-2-4-7-29)22-34-20-18-33(19-21-34)17-5-8-30(24-9-13-26(31)14-10-24)25-11-15-27(32)16-12-25/h2-4,6-7,9-16,28,30H,5,8,17-23H2,1H3

InChIKey

MLTMTBFVYXFOGY-UHFFFAOYSA-N

Smiles

COC(CN1CCN(CC1)CCCC(c2ccc(cc2)F)c3ccc(cc3)F)CSc4ccccc4

Toxicity

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