Molecular Identity
Cytisine
(1R,9S)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
PubChem CID: 10235
Cytisine is an organic heterotricyclic compound that is the toxic principle in Laburnum seeds and is found in many members of the Fabaceae (legume, pea or bean) family. An acetylcholine agonist, it is widely used throughout Eastern Europe as an aid to giving up smoking. It has a role as a phytotoxin, a nicotinic acetylcholine receptor agonist and a plant metabolite. It is an alkaloid, a lactam, an organic heterotricyclic compound, a bridged compound and a secondary amino compound.
2D Structure
Properties
C11H14N2O
Molecular Formula
190.24
Molecular Weight
g/mol
190.1106
Exact Mass
Da
0.2
XLogP
Drug-like (Lipinski: < 5)
32.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
332
Complexity
SMILES
Canonical SMILES
SMILES: C1C2CNCC1C3=CC=CC(=O)N3C2Isomeric SMILES
SMILES: C1[C@H]2CNC[C@@H]1C3=CC=CC(=O)N3C2Synonyms(20)
CYTISINE485-35-8BaptitoxineCytisiniclineSophorineBaptitoxinCytitonLaburninUlexineUlexinCytitoneCitizinCystisineCytizin(1r,5s)-1,2,3,4,5,6-Hexahydro-8h-1,5-Methanopyrido[1,2-A][1,5]diazocin-8-One
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Cytisine
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