chlorzoxazone   Click here for help

GtoPdb Ligand ID: 2322

Synonyms: Paraflex®
Approved drug PDB Ligand
chlorzoxazone is an approved drug (FDA (1958))
Compound class: Synthetic organic
Comment: Chlorzoxazone acts on the central nervous system to cause muscle relaxation and sedation.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 46
Molecular weight 168.99
XLogP 1.61
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc2c(c1)[nH]c(=O)o2
Isomeric SMILES Clc1ccc2c(c1)[nH]c(=O)o2
InChI InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChI Key TZFWDZFKRBELIQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1958))
IUPAC Name Click here for help
5-chloro-3H-1,3-benzoxazol-2-one
International Nonproprietary Names Click here for help
INN number INN
748 chlorzoxazone
Synonyms Click here for help
Paraflex®
Database Links Click here for help
BindingDB Ligand 50290811
CAS Registry No. 95-25-0
ChEBI CHEBI:3655
ChEMBL Ligand CHEMBL1371
DrugBank Ligand DB00356
DrugCentral Ligand 626
GtoPdb PubChem SID 135650089
PubChem CID 2733
RCSB PDB Ligand CLW
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Wikipedia Chlorzoxazone