azasetron   Click here for help

GtoPdb Ligand ID: 2285

Synonyms: Y-25130
Approved drug
azasetron is an approved drug
Compound class: Synthetic organic
Comment: Azasetron is a serotonin 5-HT3 receptor antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 61.88
Molecular weight 349.12
XLogP 1.24
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1cc2N(C)C(=O)COc2c(c1)C(=O)NC1CN2CCC1CC2
Isomeric SMILES Clc1cc2N(C)C(=O)COc2c(c1)C(=O)NC1CN2CCC1CC2
InChI InChI=1S/C17H20ClN3O3/c1-20-14-7-11(18)6-12(16(14)24-9-15(20)22)17(23)19-13-8-21-4-2-10(13)3-5-21/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,23)
InChI Key WUKZPHOXUVCQOR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
N-(1-azabicyclo[2.2.2]octan-8-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
International Nonproprietary Names Click here for help
INN number INN
7005 azasetron
Synonyms Click here for help
Y-25130
Database Links Click here for help
ChEMBL Ligand CHEMBL1598608
DrugCentral Ligand 267
GtoPdb PubChem SID 135649974
PubChem CID 2264
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UniChem Compound Search for chemical match using the InChIKey WUKZPHOXUVCQOR-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey WUKZPHOXUVCQOR-UHFFFAOYSA-N
Wikipedia Azasetron