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Substance Name: 4-Piperidinecarboxylic acid, 1-(phenylmethyl)-4-((phenylmethyl)amino)-, butyl ester, ethanedioate (1:2)
RN: 57612-06-3
InChIKey: OQVLCQZWTWVVJM-UHFFFAOYSA-N

Classification Code

  • Agricultural Chemical

Molecular Formula

  • C24-H32-N2-O2.2C2-H4-O4

Molecular Weight

  • 560.5964
 
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Names and Synonyms

Synonyms

  • Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle
  • Dioxalate de benzyl-1 (benzyl-amino-4) isonipecotate de n-butyle [French]

Systematic Name

  • 4-Piperidinecarboxylic acid, 1-(phenylmethyl)-4-((phenylmethyl)amino)-, butyl ester, ethanedioate (1:2)

Registry Numbers

CAS Registry Number

  • 57612-06-3

System Generated Number

  • 0057612063

Molecular Formulas

Molecular Formula

  • C24-H32-N2-O2.2C2-H4-O4

Molecular Formula Fragments

  • C2-H4-O4
  • C24-H32-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C24H32N2O2.2C2H2O4/c1-2-3-18-28-23(27)24(25-19-21-10-6-4-7-11-21)14-16-26(17-15-24)20-22-12-8-5-9-13-22;2*3-1(4)2(5)6/h4-13,25H,2-3,14-20H2,1H3;2*(H,3,4)(H,5,6)

InChIKey

OQVLCQZWTWVVJM-UHFFFAOYSA-N

Smiles

CCCCOC(=O)C1(CCN(CC1)Cc2ccccc2)NCc3ccccc3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 424, 1974.