atropine

Ligand id: 320

Name: atropine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 49.77
Molecular weight 289.17
XLogP 3.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Approved drug? Yes (source: FDA (1973))
IUPAC Name
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
Synonyms
Atropen®
hyoscyamine
Database Links
CAS Registry No. 51-55-8 (source: Scifinder)
ChEBI CHEBI:16684
ChEMBL Ligand CHEMBL517712
DrugBank Ligand DB00572
PharmGKB Drug PA448505
RCSB PDB Ligand OIN
Search Google for chemical match using the InChIKey RKUNBYITZUJHSG-SPUOUPEWSA-N
Search Google for chemicals with the same backbone RKUNBYITZUJHSG
Wikipedia Atropine
Comments
This ligand is represented in PubChem by CID 174174. This CID displays slightly different chiral specification to our ligand entry therefore is not included in our table of links above.