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Substance Name: Nicotine, 1-oxide
RN: 2820-55-5
InChIKey: YHXKVHQFWVYXIC-UHFFFAOYSA-N

Molecular Formula

  • C10-H14-N2-O

Molecular Weight

  • 178.234
 
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Names and Synonyms

Synonyms

  • (S)-3-(1-Methyl-2-pyrrolidinyl)pyridine 1-oxide
  • BRN 4673416
  • Nicotine 1-N-oxide
  • Nicotine N-oxide
  • Nicotine-N-oxide
  • Nikotin-N-oxyd
  • Nikotin-N-oxyd [German]

Systematic Names

  • Nicotine, 1-oxide
  • Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, 1-oxide, (S)- (9CI)

Registry Numbers

CAS Registry Number

  • 2820-55-5

System Generated Number

  • 0002820555

Structure Descriptors

InChI

1S/C10H14N2O/c1-11-6-3-5-10(11)9-4-2-7-12(13)8-9/h2,4,7-8,10H,3,5-6H2,1H3

InChIKey

YHXKVHQFWVYXIC-UHFFFAOYSA-N

Smiles

c1([C@@H]2[N@@](CCC2)C)cn(ccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo unreported 750mg/kg (750mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 1011, 1961.
mouse LD50 intravenous 24100ug/kg (24.1mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: TREMOR
Farmakologiya i Toksikologiya Vol. 24, Pg. 534, 1961.
mouse LD50 oral 295mg/kg (295mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: TREMOR

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Farmakologiya i Toksikologiya Vol. 24, Pg. 534, 1961.
mouse LD50 subcutaneous 295mg/kg (295mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: TREMOR

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Farmakologiya i Toksikologiya Vol. 24, Pg. 534, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.80E+00 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 1.17E-04 mm Hg 25 EST
Henry's Law Constant 3.00E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.10E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.