nabilone

Ligand id: 9071

Name: nabilone

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 46.53
Molecular weight 372.27
XLogP 6.84
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1985))
IUPAC Name
1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one
International Nonproprietary Names
INN number INN
3930 nabilone
Synonyms
Cesamet® | LY 109514 | LY-109514
Comments
Nabilone is a synthetic cannabinoid, used as an anti-emetic drug. It is a mixture of enantiomers. We show the 'flat' molecule with no specified stereochemistry to represent the mixture.
Database Links
ChEMBL Ligand CHEMBL2218896
GtoPdb PubChem SID 315661156
PubChem CID 39860
Search Google for chemical match using the InChIKey GECBBEABIDMGGL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GECBBEABIDMGGL
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Search UniChem for chemical match using the InChIKey GECBBEABIDMGGL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GECBBEABIDMGGL
Wikipedia Nabilone