(+)-aceclidine   Click here for help

GtoPdb Ligand ID: 286

Synonyms: S-(+)-aceclidine
Compound class: Synthetic organic
Comment: The INN-assigned compound aceclidine is a racemic mixture of two enantiomers: S(+)-aceclidine and R(-)-aceclidine. Note that ChEMBL represents this compound without the charge in the entry CHEMBL608828.
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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 2
Topological polar surface area 30.74
Molecular weight 170.12
XLogP 0.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(=O)OC1C[NH+]2CCC1CC2
Isomeric SMILES CC(=O)O[C@@H]1C[NH+]2CCC1CC2
InChI InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3/p+1/t9-/m1/s1
InChI Key WRJPSSPFHGNBMG-SECBINFHSA-O
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(3S)-3-(acetyloxy)-1-azabicyclo[2.2.2]octan-1-ium
International Nonproprietary Names Click here for help
INN number INN
1367 aceclidine
Synonyms Click here for help
S-(+)-aceclidine
Database Links Click here for help
CAS Registry No. 827-61-2 (source: Scifinder)
GtoPdb PubChem SID 135649887
PubChem CID 6954180
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Wikipedia Aceclidine