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Substance Name: alpha-Nicotyrine
RN: 487-19-4
UNII: XN4R1LH79Y
InChIKey: RYFOJXFXERAMLS-UHFFFAOYSA-N

Note

  • Metabolite of tobacco alkaloids in liver.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H10-N2

Molecular Weight

  • 158.203
 
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Names and Synonyms

Name of Substance

  • alpha-Nicotyrine

Synonyms

  • 1-Methyl-2-(3-pyridyl)pyrrole
  • 3,2'-Nicotyrine
  • 3-(1-Methyl-1H-pyrrol-2-yl)pyridine
  • 3-(1-Methyl-2-pyrrolyl)pyridine
  • 5-23-07-00227 (Beilstein Handbook Reference)
  • AI3-11314
  • BRN 0121347
  • EINECS 207-651-1
  • Nicotyrine
  • NSC 127943
  • UNII-XN4R1LH79Y

Systematic Names

  • 3-(1-Methylpyrrol-2-yl)pyridine
  • Pyridine, 3-(1-methyl-1H-pyrrol-2-yl)-
  • Pyridine, 3-(1-methyl-1H-pyrrol-2-yl)- (9CI)
  • Pyridine, 3-(1-methyl-2-pyrrolyl)-

Registry Numbers

CAS Registry Number

  • 487-19-4

FDA UNII

  • XN4R1LH79Y

System Generated Number

  • 0000487194

Structure Descriptors

InChI

1S/C10H10N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-8H,1H3

InChIKey

RYFOJXFXERAMLS-UHFFFAOYSA-N

Smiles

c1(c2cccnc2)n(ccc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 191mg/kg (191mg/kg)   Toxicology and Applied Pharmacology. Vol. 65, Pg. 366, 1982.
mouse LD50 oral 575mg/kg (575mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
United States Patent Document. Vol. #4065561,
rat LD50 intravenous 750mg/kg (750mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
United States Patent Document. Vol. #4065561,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 281 deg C   EXP
log P (octanol-water) 2.000 (none)   EST
Atmospheric OH Rate Constant 1.92E-10 cm3/molecule-sec 25 EST

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