glemanserin   Click here for help

GtoPdb Ligand ID: 186

Synonyms: Mdl 11939 | MDL-11,939 | MDL-11939
Compound class: Synthetic organic
Comment: The INN-assigned compound glemanserin is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 23.47
Molecular weight 295.19
XLogP 3.77
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1
Isomeric SMILES OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1
InChI InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
InChI Key AXNGJCOYCMDPQG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
International Nonproprietary Names Click here for help
INN number INN
6990 glemanserin
Synonyms Click here for help
Mdl 11939 | MDL-11,939 | MDL-11939
Database Links Click here for help
CAS Registry No. 107703-78-6 (source: Scifinder)
ChEMBL Ligand CHEMBL18972
GtoPdb PubChem SID 135650574
PubChem CID 71781
Search Google for chemical match using the InChIKey AXNGJCOYCMDPQG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AXNGJCOYCMDPQG
Search PubMed clinical trials glemanserin
Search PubMed titles glemanserin
Search PubMed titles/abstracts glemanserin
Search UniChem for chemical match using the InChIKey AXNGJCOYCMDPQG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AXNGJCOYCMDPQG
Wikipedia Glemanserin

Product suppliers

View disclaimer

Tocris
MDL 11,939
Cat. No. 0870