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Substance Name: Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-(4-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)butyl)-, ethanedioate (1:1)
RN: 153804-27-4
InChIKey: BTFGIAIKSBNYLL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H34-F2-N2-O-S.C2-H2-O4

Molecular Weight

  • 598.7074
 
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Names and Synonyms

Synonym

  • 8-((4-Bis(4-fluorophenyl)methylpiperazin-1-yl)butyl)oxythiochroman oxalate

Systematic Name

  • Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-(4-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)butyl)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 153804-27-4

System Generated Number

  • 0153804274

Molecular Formulas

Molecular Formula

  • C30-H34-F2-N2-O-S.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C30-H34-F2-N2-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C30H34F2N2OS.C2H2O4/c31-26-12-8-23(9-13-26)29(24-10-14-27(32)15-11-24)34-19-17-33(18-20-34)16-1-2-21-35-28-7-3-5-25-6-4-22-36-30(25)28;3-1(4)2(5)6/h3,5,7-15,29H,1-2,4,6,16-22H2;(H,3,4)(H,5,6)

InChIKey

BTFGIAIKSBNYLL-UHFFFAOYSA-N

Smiles

c1cc2c(c(c1)OCCCCN3CCN(CC3)C(c4ccc(cc4)F)c5ccc(cc5)F)SCCC2.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5389668,