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Substance Name: 2-Piperidinone, 1-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-6-phenyl-, ethanedioate, hydrate (2:2:1)
RN: 109758-26-1
InChIKey: BUQKLTHXCHHJSP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H37-N3-O.C2-H2-O4.1/2H2-O

Molecular Weight

  • 557.6871
 
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Names and Synonyms

Synonyms

  • 1-(3-(4-(Diphenylmethyl)-1-piperazinyl)propyl)-6-phenyl-2-piperidinone oxalate hemihydrate
  • M.G. 16144

Systematic Name

  • 2-Piperidinone, 1-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-6-phenyl-, ethanedioate, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 109758-26-1

System Generated Number

  • 0109758261

Molecular Formulas

Molecular Formula

  • C31-H37-N3-O.C2-H2-O4.1/2H2-O

Molecular Formula Fragments

  • C2-H2-O4
  • C31-H37-N3-O
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C31H37N3O.C2H2O4/c35-30-19-10-18-29(26-12-4-1-5-13-26)34(30)21-11-20-32-22-24-33(25-23-32)31(27-14-6-2-7-15-27)28-16-8-3-9-17-28;3-1(4)2(5)6/h1-9,12-17,29,31H,10-11,18-25H2;(H,3,4)(H,5,6)

InChIKey

BUQKLTHXCHHJSP-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2CCCC(=O)N2CCCN3CCN(CC3)C(c4ccccc4)c5ccccc5.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Farmaco, Edizione Scientifica. Vol. 42, Pg. 359, 1987.
mouse LD50 oral 750mg/kg (750mg/kg)   Farmaco, Edizione Scientifica. Vol. 42, Pg. 359, 1987.