tropisetron

Ligand id: 260

Name: tropisetron

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 45.33
Molecular weight 284.15
XLogP 3.41
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
International Nonproprietary Names
INN number INN
6535 tropisetron
Synonyms
ICF 205-930 | ICS 205930 | Navoban® | tropisteron
Database Links
CAS Registry No. 89565-68-4 (source: Scifinder)
ChEBI CHEBI:32269
ChEMBL Ligand CHEMBL56564
PubChem CID 656665
RCSB PDB Ligand TKT
Search Google for chemical match using the InChIKey ZNRGQMMCGHDTEI-ITGUQSILSA-N
Search Google for chemicals with the same backbone ZNRGQMMCGHDTEI
Search PubMed clinical trials tropisetron
Search PubMed titles tropisetron
Search PubMed titles/abstracts tropisetron
Search UniChem for chemical match using the InChIKey ZNRGQMMCGHDTEI-ITGUQSILSA-N
Search UniChem for chemicals with the same backbone ZNRGQMMCGHDTEI
Wikipedia Tropisetron
Comments
There is some ambiguity in the literature as to the exact stereochemistry of tropisetron. The structure shown here matches the INN-assigned structure and is the same as the the ChEBI and ChEMBL entries linked to above. There is no exact match in PubChem for the structure shown here.