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Substance Name: 2-Piperidinone, 4-(p-chlorophenyl)-1-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-, ethanedioate, hydrate (2:2:3)
RN: 109758-36-3
InChIKey: XEUQIHZUWWKWIY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H36-Cl-N3-O.C2-H2-O4.3/2H2-O

Molecular Weight

  • 592.1322
 
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Names and Synonyms

Synonyms

  • 4-(p-Chlorophenyl)-1-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-2-piperidinone oxalate
  • M.G. 16353

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 109758-36-3

System Generated Number

  • 0109758363

Molecular Formulas

Molecular Formula

  • C31-H36-Cl-N3-O.C2-H2-O4.3/2H2-O

Molecular Formula Fragments

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

Structure Descriptors

InChI

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

InChIKey

XEUQIHZUWWKWIY-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CCCN4CCC(CC4=O)c5ccc(cc5)Cl.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg)   Farmaco, Edizione Scientifica. Vol. 42, Pg. 359, 1987.
mouse LD50 oral > 250mg/kg (250mg/kg)   Farmaco, Edizione Scientifica. Vol. 42, Pg. 359, 1987.