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Substance Name: 2-Piperidinone, 6-(p-chlorophenyl)-1-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-, ethanedioate, hemihydrate
RN: 109758-29-4
InChIKey: ZEPAKLUQXAUWLF-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

  • 6-(p-Chlorophenyl)-1-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-2-piperidinone oxalate
  • M.G. 16231

Systematic Name

  • 2-Piperidinone, 6-(p-chlorophenyl)-1-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-, ethanedioate, hemihydrate

Registry Numbers

CAS Registry Number

  • 109758-29-4

System Generated Number

  • 0109758294

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

ZEPAKLUQXAUWLF-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CCCN4C(CCCC4=O)c5ccc(cc5)Cl.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 90mg/kg (90mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Farmaco, Edizione Scientifica. Vol. 42, Pg. 359, 1987.
mouse LD50 oral 500mg/kg (500mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Farmaco, Edizione Scientifica. Vol. 42, Pg. 359, 1987.