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Metanicotine

CAT: 0926-AAA53879-02Size: 5000 mgDry Ice: NoHazardous: No
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CAT#:0926-AAA53879-02Size:5000 mg
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CAS Number
538-79-4
MDL Number
MFCD00943805
Smiles
CNCCC=CC1=CN=CC=C1
Molecular Formula
C10H14N2
Molecular Weight
162.23 g/mol
Controlled
No

Chemical Information

Rivanicline

Rivanicline (TC-2403, RJR-2403, (E)-metanicotine) is a partial agonist at neuronal nicotinic acetylcholine receptors, binding primarily to the α4β2 subtype. It was originally developed as a potential treatment for Alzheimer's disease for its nootropic effects but has also been found to inhibit the production of Interleukin-8. It has subsequently been developed as a potential anti-inflammatory treatment for ulcerative colitis. Rivanicline also has stimulant and analgesic actions which are thought due to increased noradrenaline release.

CAS Number538-79-4
PubChem CID5310967
IUPAC Name(E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine
Molecular FormulaC10H14N2
Molecular Weight162.23
XLogP1.1
Topological Polar Surface Area24.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity132
SMILES
CNCC/C=C/C1=CN=CC=C1
InChI
InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+
InChIKey
JUOSGGQXEBBCJB-GORDUTHDSA-N
Chemical Structure
2D Structure
2D structure of Rivanicline
CAS: 538-79-4
CID: 5310967
Formula: C10H14N2
MW: 162.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.23
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass162.115698455
Monoisotopic Mass162.115698455
Topological Polar Surface Area24.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity132
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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