metamizole   Click here for help

GtoPdb Ligand ID: 10608

Synonyms: dipyrone
Compound class: Synthetic organic
Comment: Metamizole (or dipyrone) is a non-addictive analgesic with analgesic, antipyretic and spasmolytic effects. It is indicated for severe acute and chronic pain and also for fever which is not responding to other treatments. Although it is available over-the-counter in some countries, it is prescription or banned in other countries, due to its potential for adverse events, including agranulocytosis.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 92.4
Molecular weight 311.09
XLogP 0.39
No. Lipinski's rules broken 0
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Canonical SMILES CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O
Isomeric SMILES CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O
InChI InChI=1S/C13H17N3O4S/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,18,19,20)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonic acid
International Nonproprietary Names Click here for help
INN number INN
477 metamizole sodium
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 50567-35-6
DrugCentral Ligand 4659
GtoPdb PubChem SID 404859055
PubChem CID 3111
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Wikipedia Metamizole