ricasetron   Click here for help

GtoPdb Ligand ID: 2302

Synonyms: BRL-46470
Compound class: Synthetic organic
Comment: 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.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 35.58
Molecular weight 313.22
XLogP 2.37
No. Lipinski's rules broken 0
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Canonical SMILES CN1C2CCC1CC(C2)NC(=O)N1CC(c2c1cccc2)(C)C
Isomeric SMILES CN1[C@@H]2CC[C@H]1C[C@H](C2)NC(=O)N1CC(c2c1cccc2)(C)C
InChI InChI=1S/C19H27N3O/c1-19(2)12-22(17-7-5-4-6-16(17)19)18(23)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,13-15H,8-12H2,1-3H3,(H,20,23)/t13-,14+,15-
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7205 ricasetron
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 117086-68-7 (source: Scifinder)
ChEMBL Ligand CHEMBL2105377
GtoPdb PubChem SID 135650899
PubChem CID 71785
Search Google for chemical match using the InChIKey ILXWRFDRNAKTDD-QDMKHBRRSA-N
Search Google for chemicals with the same backbone ILXWRFDRNAKTDD
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UniChem Compound Search for chemical match using the InChIKey ILXWRFDRNAKTDD-QDMKHBRRSA-N
UniChem Connectivity Search for chemical match using the InChIKey ILXWRFDRNAKTDD-QDMKHBRRSA-N
Wikipedia Ricasetron