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Substance Name: 1H-Indene-1,3(2H)-dione, 2-(4-(4-(2-chlorophenyl)-1-piprazinyl)-2-butynyl)-2-phenyl-, ethanedioate (1:1)
RN: 51099-42-4
InChIKey: OIXZLESCTIEHCL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H25-Cl-N2-O2.C2-H2-O4

Molecular Weight

  • 559.0153
 
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Names and Synonyms

  • 1H-Indene-1,3(2H)-dione, 2-(4-(4-(2-chlorophenyl)-1-piprazinyl)-2-butynyl)-2-phenyl-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 51099-42-4

System Generated Number

  • 0051099424

Molecular Formulas

Molecular Formula

  • C29-H25-Cl-N2-O2.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C29-H25-Cl-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C29H25ClN2O2.C2H2O4/c30-25-14-6-7-15-26(25)32-20-18-31(19-21-32)17-9-8-16-29(22-10-2-1-3-11-22)27(33)23-12-4-5-13-24(23)28(29)34;3-1(4)2(5)6/h1-7,10-15H,16-21H2;(H,3,4)(H,5,6)

InChIKey

OIXZLESCTIEHCL-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2(C(=O)c3ccccc3C2=O)CC#CCN4CCN(CC4)c5ccccc5Cl.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Pharmaceutical Chemistry Journal Vol. 7, Pg. 691, 1973.