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Substance Name: 2-Benzimidazolinone, 1-(1-(3-(2-oxo-6-phenylpiperidino)propyl)-4-piperidinyl)-, ethandioate, hemihydrate
RN: 109758-38-5
InChIKey: AOXGLNCIUFJIKO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H32-N4-O2.C2-H2-O4.1/2H2-O

Molecular Weight

  • 522.5986
 
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Names and Synonyms

Synonyms

  • 1-(1-(3-(2-Oxo-6-phenylpiperidino)propyl)-4-piperidinyl)-2-benzimidazolinone oxalate
  • M.G. 16226

Systematic Name

  • 2-Benzimidazolinone, 1-(1-(3-(2-oxo-6-phenylpiperidino)propyl)-4-piperidinyl)-, ethandioate, hemihydrate

Registry Numbers

CAS Registry Number

  • 109758-38-5

System Generated Number

  • 0109758385

Molecular Formulas

Molecular Formula

  • C26-H32-N4-O2.C2-H2-O4.1/2H2-O

Molecular Formula Fragments

  • C2-H2-O4
  • C26-H32-N4-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H32N4O2.C2H2O4/c31-25-13-6-12-23(20-8-2-1-3-9-20)29(25)17-7-16-28-18-14-21(15-19-28)30-24-11-5-4-10-22(24)27-26(30)32;3-1(4)2(5)6/h1-5,8-11,21,23H,6-7,12-19H2,(H,27,32);(H,3,4)(H,5,6)

InChIKey

AOXGLNCIUFJIKO-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2CCCC(=O)N2CCCN3CCC(CC3)n4c5ccccc5[nH]c4=O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 30mg/kg (30mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: EXCITEMENT
Farmaco, Edizione Scientifica. Vol. 42, Pg. 359, 1987.