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Substance Name: Pelletierine
RN: 2858-66-4
UNII: E58YT08G4A
InChIKey: JEIZLWNUBXHADF-MRVPVSSYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C8-H15-N-O

Molecular Weight

  • 141.2125
 
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Names and Synonyms

Name of Substance

  • Pelletierine

Synonyms

  • 1-(2-Piperidinyl)-2-propanone
  • 2-Acetonylpiperidine
  • 2-Propanone, 1-(2-piperidyl)-
  • 5-21-06-00522 (Beilstein Handbook Reference)
  • BRN 0080973
  • EINECS 220-673-6
  • Pelletierine, (R)-(-)-
  • Punicine
  • UNII-E58YT08G4A

Systematic Names

  • (R)-1-(2-Piperidyl)acetone
  • Pelletierine

Registry Numbers

CAS Registry Number

  • 2858-66-4

FDA UNII

  • E58YT08G4A

System Generated Number

  • 0002858664

Structure Descriptors

InChI

1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3/t8-/m1/s1

InChIKey

JEIZLWNUBXHADF-MRVPVSSYSA-N

Smiles

CC(=O)C[C@H]1CCCCN1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 10mg/kg (10mg/kg)   "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 588, 1948.
guinea pig LDLo intravenous 400mg/kg (400mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
mouse LDLo oral 225mg/kg (225mg/kg)   Helvetica Chimica Acta. Vol. 45, Pg. 729, 1962.
pigeon LDLo intravenous 140mg/kg (140mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
rabbit LDLo intravenous 10mg/kg (10mg/kg)   "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 588, 1948.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 195 deg C   EXP
log P (octanol-water) 0.540 (none)   EST
Atmospheric OH Rate Constant 1.65E-10 cm3/molecule-sec 25 EST

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