Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, butyl ester
RN: 10457-86-0
InChIKey: ONNAEFWZVLNWBJ-UHFFFAOYSA-M

Molecular Formulas

  • C12-H19-N-O2.I
  • C12-H22-N-O2.I

Molecular Weight

  • 339.211
 
* 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

  • n-Butyl-1-methyl-1,2,5,6-tetrahydronicotinate methiodide

Systematic Names

  • Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, butyl ester
  • Pyridinium, 3-(butoxycarbonyl)-1,2,5,6-tetrahydro-1,1-dimethyl-, iodide

Registry Numbers

CAS Registry Number

  • 10457-86-0

System Generated Number

  • 0010457860

Molecular Formulas

Molecular Formulas

  • C12-H19-N-O2.I
  • C12-H22-N-O2.I

Molecular Formula Fragments

  • C12-H19-N-O2
  • C12-H22-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C12H22NO2.HI/c1-4-5-9-15-12(14)11-7-6-8-13(2,3)10-11;/h7H,4-6,8-10H2,1-3H3;1H/q+1;/p-1

InChIKey

ONNAEFWZVLNWBJ-UHFFFAOYSA-M

Smiles

C1C(=CCC[N+]1(C)C)C(=O)OCCCC.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 891ug/kg (0.891mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12577,