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Substance Name: 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, heptyl ester, ethanedioate (1:2)
RN: 57611-72-0
InChIKey: BGPDFUCTUWEJLN-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide

Molecular Formula

  • C20-H32-N2-O2.2C2-H2.O4

Molecular Weight

  • 422.5186
 
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Names and Synonyms

Synonym

  • Heptyl 4-amino-1-(phenylmethyl)-4-piperidinecarboxylate ethanedioate (1:2)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 57611-72-0

System Generated Number

  • 0057611720

Molecular Formulas

Molecular Formula

  • C20-H32-N2-O2.2C2-H2.O4

Molecular Formula Fragments

  • C2-H2
  • C20-H32-N2-O2
  • COMPONENT
  • O4

Structure Descriptors

InChI

1S/C20H32N2O2.C2H2O4/c1-2-3-4-5-9-16-24-19(23)20(21)12-14-22(15-13-20)17-18-10-7-6-8-11-18;3-1(4)2(5)6/h6-8,10-11H,2-5,9,12-17,21H2,1H3;(H,3,4)(H,5,6)

InChIKey

BGPDFUCTUWEJLN-UHFFFAOYSA-N

Smiles

CCCCCCCOC(=O)C1(CCN(CC1)Cc2ccccc2)N.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.