Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isonipecotic acid, 4-phenyl-1-(beta-piperidinophenethyl)-, ethyl ester, maleate (1:2)
RN: 14771-43-8
InChIKey: NXNHJLGLNYEIEH-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H36-N2-O2.2C4-H4-O4

Molecular Weight

  • 652.737
 
* 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

Synonyms

  • 1-(2-Phenyl-2-piperidinoaethyl)-4-aethoxycarbonyl-4-phenylpiperidin di(hydrogenmaleat)
  • 4-Phenyl-1-(beta-piperidinophenethyl)isonipecotic acid ethyl ester maleate (1:2)

Systematic Name

  • Isonipecotic acid, 4-phenyl-1-(beta-piperidinophenethyl)-, ethyl ester, maleate (1:2)

Registry Numbers

CAS Registry Number

  • 14771-43-8

System Generated Number

  • 0014771438

Molecular Formulas

Molecular Formula

  • C27-H36-N2-O2.2C4-H4-O4

Molecular Formula Fragments

  • C27-H36-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C27H36N2O2.2C4H4O4/c1-2-31-26(30)27(24-14-8-4-9-15-24)16-20-28(21-17-27)22-25(23-12-6-3-7-13-23)29-18-10-5-11-19-29;2*5-3(6)1-2-4(7)8/h3-4,6-9,12-15,25H,2,5,10-11,16-22H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

NXNHJLGLNYEIEH-SPIKMXEPSA-N

Smiles

C1(c2ccccc2)(CC[NH+](CC1)C[C@@H](c1ccccc1)[NH+]1CCCCC1)C(OCC)=O.C(=C/C(=O)[O-])\C(O)=O.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 22mg/kg (22mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 32, Pg. 1285, 1967.