ricasetron

Ligand id: 2302

Name: ricasetron

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 35.58
Molecular weight 313.22
XLogP 3.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3,3-dimethyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2H-indole-1-carboxamide
International Nonproprietary Names
INN number INN
7205 ricasetron
Synonyms
BRL-46470
Database Links
CAS Registry No. 117086-68-7 (source: Scifinder)
ChEMBL Ligand CHEMBL2105377
PubChem CID 71785
Search Google for chemical match using the InChIKey ILXWRFDRNAKTDD-QDMKHBRRSA-N
Search Google for chemicals with the same backbone ILXWRFDRNAKTDD
Search PubMed clinical trials ricasetron
Search PubMed titles ricasetron
Search PubMed titles/abstracts ricasetron
Search UniChem for chemical match using the InChIKey ILXWRFDRNAKTDD-QDMKHBRRSA-N
Search UniChem for chemicals with the same backbone ILXWRFDRNAKTDD
Wikipedia Ricasetron
Comments
The structure shown here represents the same stereochemistry as the INN document for this compound, and also matches the ChEMBL structure in the link above. Ricasetron is represented on PubChem by CID 71785.