Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isonipecotic acid, 1-acetonyl-4-phenyl-, ethyl ester
RN: 102395-61-9
InChIKey: MSRCHHJMIZQCQD-UHFFFAOYSA-N

Molecular Formula

  • C17-H23-N-O3

Molecular Weight

  • 289.373
 
* 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-Oxopropyl)-4-carbethoxy-4-phenylpiperidine
  • 1-Acetonyl-4-phenylisonipecotic acid ethyl ester

Systematic Name

  • Isonipecotic acid, 1-acetonyl-4-phenyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 102395-61-9

System Generated Number

  • 0102395619

Structure Descriptors

InChI

1S/C17H23NO3/c1-3-21-16(20)17(15-7-5-4-6-8-15)9-11-18(12-10-17)13-14(2)19/h4-8H,3,9-13H2,1-2H3

InChIKey

MSRCHHJMIZQCQD-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(CCN(CC(C)=O)CC1)C(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11142,