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Substance Name: 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, 2-phenylethyl ester, ethanedioate (1:2)
RN: 57611-82-2
InChIKey: HOSMHKBFXJSJDQ-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide

Molecular Formula

  • C21-H26-N2-O2.2C2-H2-O4

Molecular Weight

  • 428.4822
 
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Names and Synonyms

Synonym

  • Phenethyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 57611-82-2

System Generated Number

  • 0057611822

Molecular Formulas

Molecular Formula

  • C21-H26-N2-O2.2C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C21-H26-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26N2O2.C2H2O4/c22-21(20(24)25-16-11-18-7-3-1-4-8-18)12-14-23(15-13-21)17-19-9-5-2-6-10-19;3-1(4)2(5)6/h1-10H,11-17,22H2;(H,3,4)(H,5,6)

InChIKey

HOSMHKBFXJSJDQ-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CCOC(=O)C2(CCN(CC2)Cc3ccccc3)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.