Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, ethyl ester, ethanedioate (1:2)
RN: 57611-56-0
InChIKey: CQFGTGUPLVUOID-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide

Molecular Formula

  • C15-H22-N2-O2.2C2-H2-O4

Molecular Weight

  • 442.4184
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 57611-56-0

System Generated Number

  • 0057611560

Molecular Formulas

Molecular Formula

  • C15-H22-N2-O2.2C2-H2-O4

Molecular Formula Fragments

  • C15-H22-N2-O2
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C15H22N2O2.2C2H2O4/c1-2-19-14(18)15(16)8-10-17(11-9-15)12-13-6-4-3-5-7-13;2*3-1(4)2(5)6/h3-7H,2,8-12,16H2,1H3;2*(H,3,4)(H,5,6)

InChIKey

CQFGTGUPLVUOID-UHFFFAOYSA-N

Smiles

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