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Substance Name: Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, allyl ester
RN: 41878-05-1
InChIKey: HDJQFQDRHVTEPH-UHFFFAOYSA-M

Molecular Formula

  • C11-H18-N-O2.I

Molecular Weight

  • 323.1682
 
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Names and Synonyms

Synonym

  • Allyl-1-methyl-1,2,5,6-tetrahydronicotinate methiodide

Systematic Name

  • Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, allyl ester

Registry Numbers

CAS Registry Number

  • 41878-05-1

System Generated Number

  • 0041878051

Molecular Formulas

Molecular Formula

  • C11-H18-N-O2.I

Molecular Formula Fragments

  • C11-H18-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C11H18NO2.HI/c1-4-8-14-11(13)10-6-5-7-12(2,3)9-10;/h4,6H,1,5,7-9H2,2-3H3;1H/q+1;/p-1

InChIKey

HDJQFQDRHVTEPH-UHFFFAOYSA-M

Smiles

C[N+]1(CCC=C(C1)C(=O)OCC=C)C.[I-]

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#12581,