Details of the Drug

General Information of Drug (ID: DM2TO9R)

Drug Name
Desflurane
Synonyms
Desflurano; Desfluranum; Suprane; I 653; I653; PC6781E; Desflurane [USAN:INN]; Desflurano [INN-Spanish]; Desfluranum [INN-Latin]; I-653; R-e 236ea1; Suprane (TN); Desflurane (JAN/USP/INN); Difluoromethyl 1,2,2,2-tetrafluoroethyl ether; (+-)-2-Difluoromethyl 1,2,2,2-tetrafluoroethyl ether; 1,1,1,2-tetrafluoro-2-(difluoromethoxy)ethane; 2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane
Indication
Disease Entry ICD 11 Status REF
Anaesthesia 9A78.6 Approved [1]
Therapeutic Class
Anesthetics
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 168.04
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
ADMET Property
Elimination
0.002% of drug is excreted from urine in the unchanged form, and most of drug is rapidly excreted from the lungs [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 8.16 +/- 3.15 minutes [3]
Metabolism
The drug is metabolized via the CYP2E1 [4]
Vd
The volume of distribution (Vd) of drug is 0.612 L/kg [5]
Chemical Identifiers
Formula
C3H2F6O
IUPAC Name
2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane
Canonical SMILES
C(C(F)(F)F)(OC(F)F)F
InChI
InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H
InChIKey
DPYMFVXJLLWWEU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
42113
ChEBI ID
CHEBI:4445
CAS Number
57041-67-5
DrugBank ID
DB01189
TTD ID
D0H4GN
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glutamate receptor AMPA (GRIA) TTAN6JD NOUNIPROTAC Antagonist [6]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Anaesthesia
ICD Disease Classification 9A78.6
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Glutamate receptor AMPA (GRIA) DTT NO-GeName 1.79E-04 -0.69 -0.58
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7156).
2 Lu CC, Tsai CS, Hu OY, Chen RM, Chen TL, Ho ST, Gan TJ: Pharmacokinetics of desflurane elimination from respiratory gas and blood during the 20 minutes after cardiac surgery. J Formos Med Assoc. 2013 Apr;112(4):185-92. doi: 10.1016/j.jfma.2012.01.017. Epub 2012 May 20.
3 Recovery and pharmacokinetic parameters of desflurane, sevoflurane, and isoflurane in patients undergoing urologic procedures. J Clin Anesth. 1999 Sep;11(6):460-5. doi: 10.1016/s0952-8180(99)00082-3.
4 Aubert J, Piwnica D, Bertino B, Blanchet-Rethore S, Carlavan I, Deret S, Dreno B, Gamboa B, Jomard A, Luzy AP, Mauvais P, Mounier C, Pascau J, Pelisson I, Portal T, Rivier M, Rossio P, Thoreau E, Vial E, Voegel JJ: Nonclinical and human pharmacology of the potent and selective topical retinoic acid receptor-gamma agonist trifarotene. Br J Dermatol. 2018 Aug;179(2):442-456. doi: 10.1111/bjd.16719. Epub 2018 Jul 4.
5 Wissing H, Kuhn I, Rietbrock S, Fuhr U: Pharmacokinetics of inhaled anaesthetics in a clinical setting: comparison of desflurane, isoflurane and sevoflurane. Br J Anaesth. 2000 Apr;84(4):443-9. doi: 10.1093/oxfordjournals.bja.a013467.
6 Modulation of NMDA receptor function by ketamine and magnesium. Part II: interactions with volatile anesthetics. Anesth Analg. 2001 May;92(5):1182-91.