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Substance Name: 1H-Indene-1,3(2H)-dione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)butyl)-, sulfate (1:1)
RN: 51099-50-4
InChIKey: QFXFOBZTZOTTBN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H30-N2-O2.H2-O4-S

Molecular Weight

  • 536.6458
 
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Names and Synonyms

Synonym

  • 2-Phenyl-2-(4-(4-phenyl-1-piperazinyl)butyl)-1H-indene-1,3(2H)-dione sulfate (1:1)

Systematic Name

  • 1H-Indene-1,3(2H)-dione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)butyl)-, sulfate (1:1)

Registry Numbers

CAS Registry Number

  • 51099-50-4

System Generated Number

  • 0051099504

Molecular Formulas

Molecular Formula

  • C29-H30-N2-O2.H2-O4-S

Molecular Formula Fragments

  • C29-H30-N2-O2
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C29H30N2O2.H2O4S/c32-27-25-15-7-8-16-26(25)28(33)29(27,23-11-3-1-4-12-23)17-9-10-18-30-19-21-31(22-20-30)24-13-5-2-6-14-24;1-5(2,3)4/h1-8,11-16H,9-10,17-22H2;(H2,1,2,3,4)

InChIKey

QFXFOBZTZOTTBN-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2(C(=O)c3ccccc3C2=O)CCCCN4CCN(CC4)c5ccccc5.OS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 7, Pg. 691, 1973.