isoflurane

Ligand id: 2505

Name: isoflurane

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Structure and Physico-chemical Properties

2D Structure
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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 (FDA (1979))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name
2-Chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
International Nonproprietary Names
INN number INN
3286 isoflurane
Synonyms
Forane®
Comments
Isoflurane is an inhalation anaesthetic.
Database Links
CAS Registry No. 26675-46-7
ChEBI CHEBI:6015
ChEMBL Ligand CHEMBL1256
DrugBank Ligand DB00753
GtoPdb PubChem SID 53801075
PubChem CID 3763
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Wikipedia Isoflurane