atropine

Ligand id: 320

Name: atropine

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View more information in the IUPHAR Pharmacology Education Project: 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 (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
GtoPdb PubChem SID 135652667
PubChem CID 174174
Search Google for chemical match using the InChIKey RKUNBYITZUJHSG-SPUOUPEWSA-N
Search Google for chemicals with the same backbone RKUNBYITZUJHSG
Search UniChem for chemical match using the InChIKey RKUNBYITZUJHSG-SPUOUPEWSA-N
Search UniChem 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.