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 In the US it was withdrawn from the market for safety concerns (it is nephrotoxic and hepatotoxic) but is still available/used in other countries, including the UK (for emergency relief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
SMILES / InChI / InChIKey
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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
InChI Key RFKMCNOHBTXSMU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (date unknown))
IUPAC Name Click here for help
2,2-dichloro-1,1-difluoro-1-methoxyethane
International Nonproprietary Names Click here for help
INN number INN
1048 methoxyflurane
Synonyms Click here for help
Penthrane®
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