isoflurane

Ligand id: 2505

Name: isoflurane

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
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

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
Approved drug? Yes (source: FDA (1979))
IUPAC Name
2-Chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
International Nonproprietary Names
INN number INN
3286 isoflurane
Synonyms
Forane®
Database Links
CAS Registry No. 26675-46-7
ChEBI CHEBI:6015
ChEMBL Ligand CHEMBL1256
DrugBank Ligand DB00753
PharmGKB Drug PA450106
PubChem CID 3763
Search Google for chemical match using the InChIKey PIWKPBJCKXDKJR-UHFFFAOYSA-N
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Wikipedia Isoflurane
Comments
Isoflurane is an inhalation anaesthetic.