isoflurane   

GtoPdb Ligand ID: 2505

Synonyms: Forane®
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
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
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
References
1. Girard C, Duprat F, Terrenoire C, Tinel N, Fosset M, Romey G, Lazdunski M, Lesage F. (2001)
Genomic and functional characteristics of novel human pancreatic 2P domain K(+) channels.
Biochem. Biophys. Res. Commun., 282 (1): 249-56. [PMID:11263999]
2. Matta JA, Cornett PM, Miyares RL, Abe K, Sahibzada N, Ahern GP. (2008)
General anesthetics activate a nociceptive ion channel to enhance pain and inflammation.
Proc. Natl. Acad. Sci. U.S.A., 105 (25): 8784-9. [PMID:18574153]
3. Patel AJ, Honoré E, Lesage F, Fink M, Romey G, Lazdunski M. (1999)
Inhalational anesthetics activate two-pore-domain background K+ channels.
Nat. Neurosci., 2 (5): 422-6. [PMID:10321245]
4. Washburn CP, Sirois JE, Talley EM, Guyenet PG, Bayliss DA. (2002)
Serotonergic raphe neurons express TASK channel transcripts and a TASK-like pH- and halothane-sensitive K+ conductance.
J. Neurosci., 22 (4): 1256-65. [PMID:11850453]