isoflurane   Click here for help

GtoPdb Ligand ID: 2505

Synonyms: Forane®
Approved drug
isoflurane is an approved drug (FDA (1979))
Compound class: Synthetic organic
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
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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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1979))
WHO Essential Medicine WHO Essential Medicines List (EML) (23rd List, 2023). Access PDF version.
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IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
3286 isoflurane
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 26675-46-7
ChEMBL Ligand CHEMBL1256
DrugBank Ligand DB00753
DrugCentral Ligand 1493
GtoPdb PubChem SID 53801075
PubChem CID 3763
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Wikipedia Isoflurane