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Substance Name: 2-Piperidinone, 1-(3-(4-(p-chloro-alpha-phenylbenzyl)-1-piperazinyl)propyl)-6-phenyl-ethanedioate, hemihydrate
RN: 109758-32-9
InChIKey: QDQLTXSTEOUMSO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H36-Cl-N3-O.C2-H2-O4.1/2H2-O

Molecular Weight

  • 592.1322
 
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Names and Synonyms

Synonyms

  • 1-(3-(4-(p-Chloro-alpha-phenylbenzyl)-1-piperazinyl)propyl)-6-phenyl-2-piperidinone oxalate
  • M.G. 16249

Systematic Name

  • 2-Piperidinone, 1-(3-(4-(p-chloro-alpha-phenylbenzyl)-1-piperazinyl)propyl)-6-phenyl-ethanedioate, hemihydrate

Registry Numbers

CAS Registry Number

  • 109758-32-9

System Generated Number

  • 0109758329

Molecular Formulas

Molecular Formula

  • C31-H36-Cl-N3-O.C2-H2-O4.1/2H2-O

Molecular Formula Fragments

  • C2-H2-O4
  • C31-H36-Cl-N3-O
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C31H36ClN3O.C2H2O4/c32-28-17-15-27(16-18-28)31(26-11-5-2-6-12-26)34-23-21-33(22-24-34)19-8-20-35-29(13-7-14-30(35)36)25-9-3-1-4-10-25;3-1(4)2(5)6/h1-6,9-12,15-18,29,31H,7-8,13-14,19-24H2;(H,3,4)(H,5,6)

InChIKey

QDQLTXSTEOUMSO-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2CCCC(=O)N2CCCN3CCN(CC3)C(c4ccccc4)c5ccc(cc5)Cl.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 180mg/kg (180mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: EXCITEMENT
Farmaco, Edizione Scientifica. Vol. 42, Pg. 359, 1987.
mouse LD50 oral > 500mg/kg (500mg/kg)   Farmaco, Edizione Scientifica. Vol. 42, Pg. 359, 1987.