isoflurane   Click here for help

GtoPdb Ligand ID: 2505

Synonyms: Forane®
Approved drug
isoflurane is an approved drug (FDA (1979))
Comment: Isoflurane is an inhalation anaesthetic.
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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 3
Topological polar surface area 9.23
Molecular weight 183.97
XLogP 2.6
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES FC(OC(C(F)(F)F)Cl)F
Isomeric SMILES FC(OC(C(F)(F)F)Cl)F
InChI InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H
InChI Key PIWKPBJCKXDKJR-UHFFFAOYSA-N
Classification Click here for help
Compound class Metabolite or derivative
Approved drug? Yes (FDA (1979))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
2-Chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
International Nonproprietary Names Click here for help
INN number INN
3286 isoflurane
Synonyms Click here for help
Forane®
Database Links Click here for help
CAS Registry No. 26675-46-7
ChEBI CHEBI:6015
ChEMBL Ligand CHEMBL1256
DrugBank Ligand DB00753
DrugCentral Ligand 1493
GtoPdb PubChem SID 53801075
PubChem CID 3763
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Wikipedia Isoflurane