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Substance Name: 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, cyclohexyl ester, ethanedioate (1:2)
RN: 57611-80-0
InChIKey: QLSFPDAHQBLFMH-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide

Molecular Formula

  • C19-H28-N2-O2.2C2-H2-O4

Molecular Weight

  • 406.476
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 57611-80-0

System Generated Number

  • 0057611800

Molecular Formulas

Molecular Formula

  • C19-H28-N2-O2.2C2-H2-O4

Molecular Formula Fragments

  • C19-H28-N2-O2
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H28N2O2.C2H2O4/c20-19(18(22)23-17-9-5-2-6-10-17)11-13-21(14-12-19)15-16-7-3-1-4-8-16;3-1(4)2(5)6/h1,3-4,7-8,17H,2,5-6,9-15,20H2;(H,3,4)(H,5,6)

InChIKey

QLSFPDAHQBLFMH-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CN2CCC(CC2)(C(=O)OC3CCCCC3)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.