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Anabasamine

CAT: 0013-GTR19195551-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195551-02Size:50 mg
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Description
Anabasamine is a lupinine-type alkaloid used in research as a chemical reference standard. It is applied in pharmacological studies, particularly in vitro assays, to investigate the biological activity of quinolizidine alkaloids.
CAS Number
20410-87-1
Smiles
CN1C (CCCC1) C=2C=CC (=NC2) C=3C=CC=NC3
Molecular Formula
C16H19N3
Molecular Weight
253.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Anabasamine

5-(1-methyl-2-piperidinyl)-2-(3-pyridinyl)pyridine is a member of bipyridines.

CAS Number20410-87-1
PubChem CID161313
IUPAC Name5-(1-methylpiperidin-2-yl)-2-pyridin-3-ylpyridine
Molecular FormulaC16H19N3
Molecular Weight253.34
XLogP1.6
Topological Polar Surface Area29
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity281
SMILES
CN1CCCCC1C2=CN=C(C=C2)C3=CN=CC=C3
InChI
InChI=1S/C16H19N3/c1-19-10-3-2-6-16(19)14-7-8-15(18-12-14)13-5-4-9-17-11-13/h4-5,7-9,11-12,16H,2-3,6,10H2,1H3
InChIKey
TZRDBHMKTWECOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anabasamine
CAS: 20410-87-1
CID: 161313
Formula: C16H19N3
MW: 253.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight253.34
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass253.157897619
Monoisotopic Mass253.157897619
Topological Polar Surface Area29 Ų
Heavy Atom Count19
Formal Charge0
Complexity281
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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