rivanicline   Click here for help

GtoPdb Ligand ID: 3994

Synonyms: metanicotine | RJR-2403 | TC 2403 | TC-2403 | TC2403 | trans-metanicotine
Compound class: Synthetic organic
Comment: Rivanicline is an agonist at neural nicotinic acetylcholine receptors, binding primarily to the α4β2 subtype [1]. Potential clinical use of rivanicline is discussed in patent US5616707 [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 24.92
Molecular weight 162.12
XLogP 1.04
No. Lipinski's rules broken 0
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Canonical SMILES CNCCC=Cc1cccnc1
Isomeric SMILES CNCC/C=C/c1cccnc1
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+
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
8628 rivanicline
Synonyms Click here for help
metanicotine | RJR-2403 | TC 2403 | TC-2403 | TC2403 | trans-metanicotine
Database Links Click here for help
CAS Registry No. 15585-43-0 (source: Scifinder)
ChEMBL Ligand CHEMBL132966
GtoPdb PubChem SID 178100820
PubChem CID 5310967
Search Google for chemical match using the InChIKey JUOSGGQXEBBCJB-GORDUTHDSA-N
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UniChem Compound Search for chemical match using the InChIKey JUOSGGQXEBBCJB-GORDUTHDSA-N
UniChem Connectivity Search for chemical match using the InChIKey JUOSGGQXEBBCJB-GORDUTHDSA-N
Wikipedia Rivanicline