methoxyflurane   Click here for help

GtoPdb Ligand ID: 7234

Synonyms: Penthrane®
Approved drug
methoxyflurane is an approved drug (FDA (date unknown))
Compound class: Synthetic organic
Comment: Methoxyflurane is a halogenated ether volatile inhalational anaesthetic. In the US it was withdrawn from the market for safety concerns (it is nephrotoxic and hepatotoxic) but is still available/used in other countries, including the UK (for emergency relief of moderate to severe pain in conscious adult patients as a result of trauma).
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 9.23
Molecular weight 163.96
XLogP 1.91
No. Lipinski's rules broken 0
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Canonical SMILES COC(C(Cl)Cl)(F)F
Isomeric SMILES COC(C(Cl)Cl)(F)F
InChI InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (date unknown))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
1048 methoxyflurane
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 76-38-0
ChEMBL Ligand CHEMBL1341
DrugBank Ligand DB01028
DrugCentral Ligand 1754
GtoPdb PubChem SID 178103808
PubChem CID 4116
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Wikipedia Methoxyflurane