Molecule

Benzoyl Tropine

AlkaPlorer ID: AK010379

Synonym: None

IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate

SMILES: CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C1=CC=CC=C1)C2

InChI: InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14+

InChIKey: XQJMXPAEFMWDOZ-WDNDVIMCSA-N

CAS: 637-23-0

LOTUS: LTS0003279

NPASS: NPC26285

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Crotalaria capensis	Crotalaria	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Haemophilus parainfluenzae	Haemophilus	Pasteurellaceae	Pasteurellales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Eurybia radula	Eurybia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Asteriscus intermedius	Asteriscus	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 245.322

TPSA？: 29.54

MolLogP？: 2.4686000000000003

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Aplysia californica	Soluble acetylcholine receptor	Ki	3981.07	nM	10.1016/j.bmcl.2011.12.008
Homo sapiens	Neuronal acetylcholine receptor; alpha4/beta2	Ki	31622.78	nM	10.1016/j.bmcl.2011.12.008
Homo sapiens	Neuronal acetylcholine receptor protein alpha-7 subunit	Ki	15848.93	nM	10.1016/j.bmcl.2011.12.008
Lymnaea stagnalis	Acetylcholine-binding protein	Ki	1995.26	nM	10.1016/j.bmcl.2011.12.008
None	Unchecked	Activity	nan	None	10.1016/j.bmc.2012.05.042
None	Unchecked	Inhibition	nan	%	10.1016/j.bmc.2012.05.042