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Anabasine (PC000886)

Record Information
Version1.0
Creation date2015-10-09 22:33:14 UTC
Update date2017-01-19 02:36:40 UTC
FoodComEx IDPC000886
FoodDB RecordFDB023366
Chemical Information
NameAnabasine
DescriptionAnabasine is a nicotinic receptor agonist toxin and Cholinesterase inhibitor which acts upon the nicotinic acetylcholine receptors. Anabasine is an unstable yellow liquid which is succeptable to light, heat and moisture. It's decomposition products include Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases and carbon dioxide. Anabasine is a pyridine alkaloid found in the stem of the (Nicotiana glauca) plant, a close relative of (Nicotiana tabacum) the common tobacco plant. Anabasine is a metabolite of nicotine which can be used as an indicator of a person's exposure to tobbacco smoke. A piperidine botanical insecticide. [HMDB]
CAS Number13078-04-1
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
SynonymSource
(-)-2-(3'-Pyridyl)piperidinehmdb
(-)-Anabasinehmdb
(+-)-Anabasinehmdb
(+/-)-Anabasinehmdb
(S)-3-(2-Piperidinyl)pyridinehmdb
2-(3-Pyridinyl)piperidinehmdb
2-(3'-Pyridyl) piperidinehmdb
3-(2-Piperidinyl)pyridinehmdb
Anabasinhmdb
Anabazinhmdb
DL-Anabasinehmdb
L-3-(2'-Piperidyl)pyridinehmdb
Neonicotinehmdb
Neonikotinhmdb
S-(-)-Anabasinehmdb
Chemical FormulaC10H14N2
IUPAC name3-(piperidin-2-yl)pyridine
InChI IdentifierInChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2
InChI KeyMTXSIJUGVMTTMU-UHFFFAOYSA-N
Isomeric SMILESC1CCC(NC1)C1=CN=CC=C1
Average Molecular Weight162.2316
Monoisotopic Molecular Weight162.115698458
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.
KingdomOrganic compounds
Super ClassAlkaloids and derivatives
ClassNot Available
Sub ClassNot Available
Direct ParentAlkaloids and derivatives
Alternative Parents
Substituents
  • Alkaloid or derivatives
  • Aralkylamine
  • Pyridine
  • Piperidine
  • Heteroaromatic compound
  • Azacycle
  • Organoheterocyclic compound
  • Secondary amine
  • Secondary aliphatic amine
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Amine
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 30 mg
Delivery TimeNot Available
Storage Formliquid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci X6317
Toronto Research Chemicals A637175