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Substance Name: 4-Piperidinecarboxylic acid, 4-(benzoylamino)-1-(phenylmethyl)-, methyl ester, ethanedioate (1:2)
RN: 57611-90-2
InChIKey: ZUZOJVFCOIOPKC-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide

Molecular Formula

  • C21-H24-N2-O3.2C2-H2-O4

Molecular Weight

  • 442.4654
 
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Names and Synonyms

Synonyms

  • Dioxalate de (N-benzoylamino)-4 benzyl-1 isonipecotate de methyle
  • Dioxalate de (N-benzoylamino)-4 benzyl-1 isonipecotate de methyle [French]
  • Methyl 4-benzamido-1-benzyl-4-piperidinecarboxylate dioxalate

Systematic Name

  • 4-Piperidinecarboxylic acid, 4-(benzoylamino)-1-(phenylmethyl)-, methyl ester, ethanedioate (1:2)

Registry Numbers

CAS Registry Number

  • 57611-90-2

System Generated Number

  • 0057611902

Molecular Formulas

Molecular Formula

  • C21-H24-N2-O3.2C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C21-H24-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C21H24N2O3.C2H2O4/c1-26-20(25)21(22-19(24)18-10-6-3-7-11-18)12-14-23(15-13-21)16-17-8-4-2-5-9-17;3-1(4)2(5)6/h2-11H,12-16H2,1H3,(H,22,24);(H,3,4)(H,5,6)

InChIKey

ZUZOJVFCOIOPKC-UHFFFAOYSA-N

Smiles

COC(=O)C1(CCN(CC1)Cc2ccccc2)NC(=O)c3ccccc3.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.