sevoflurane   Click here for help

GtoPdb Ligand ID: 7296

Synonyms: MR-6S4 | MR6S4 | Sojourn® | Ultane®
Approved drug
sevoflurane is an approved drug (FDA (1995), EMA (2002))
Compound class: Synthetic organic
Comment: Sevoflurane is a highly fluorinated methyl isopropyl ether inhalational anaesthetic, and it is one of the most commonly used inhalational anaesthetics. After desflurane, it is the volatile anaesthetic with the fastest onset and offset [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 9.23
Molecular weight 200.01
XLogP 3.18
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES FCOC(C(F)(F)F)C(F)(F)F
Isomeric SMILES FCOC(C(F)(F)F)C(F)(F)F
InChI InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2
InChI Key DFEYYRMXOJXZRJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1995), EMA (2002))
IUPAC Name Click here for help
1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane
International Nonproprietary Names Click here for help
INN number INN
3028 sevoflurane
Synonyms Click here for help
MR-6S4 | MR6S4 | Sojourn® | Ultane®
Database Links Click here for help
CAS Registry No. 28523-86-6
ChEMBL Ligand CHEMBL1200694
DrugBank Ligand DB01236
DrugCentral Ligand 2439
GtoPdb PubChem SID 178103869
PubChem CID 5206
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Wikipedia Sevoflurane