Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1478)
Drug Name
Sevoflurane
Synonyms
Sevofluran; Sevoflurano; Sevoflurano [INN-Spanish]; Sevofluranum; Sevofluranum [INN-Latin]; Sevorane; Sojourn; Ultane; sevoflurane; Bax 3084; DFEYYRMXOJXZRJ-UHFFFAOYSA-N; MR-6S4; 1,1,1,3,3,3-Hexafluoro-2-(fluoromethoxy)propane; 28523-86-6; 38LVP0K73A; BRN 2041023; C4H3F7O; CHEBI:9130; Fluoromethyl 1,1,1,3,3,3-Hexafluoroisopropyl Ether; Fluoromethyl 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ether; MFCD00153189; MR6S4; Propane, 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)-; UNII-38LVP0K73A; fluoromethyl hexafluoroisopropyl ether
Indication Anaesthesia [ICD11: 8E22] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 200.05 Topological Polar Surface Area 9.2
Heavy Atom Count 12 Rotatable Bond Count 2
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
5206
PubChem SID
9723 ; 3215276 ; 6493020 ; 7847613 ; 7980594 ; 8153199 ; 12012762 ; 12075314 ; 15120951 ; 29224263 ; 46508591 ; 49968899 ; 50112674 ; 50769024 ; 57322653 ; 81065570 ; 85305373 ; 87560819 ; 92714283 ; 95693806 ; 99452954 ; 103770677 ; 104308565 ; 121362326 ; 125368119 ; 126624262 ; 126655524 ; 127726271 ; 131308872 ; 131465785 ; 134213127 ; 134337983 ; 134997737 ; 135589757 ; 137005407 ; 142416197 ; 143461391 ; 144076360 ; 144205978 ; 160810390 ; 160964568 ; 162177516 ; 162829968 ; 164791075 ; 174528671 ; 175268320 ; 175611312 ; 176247785 ; 178103869 ; 179116892
ChEBI ID
CHEBI:9130
CAS Number
28523-86-6
TTD Drug ID
D0W6ZF
Formula
C4H3F7O
Canonical SMILES
C(OC(C(F)(F)F)C(F)(F)F)F
InChI
1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2
InChIKey
DFEYYRMXOJXZRJ-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Hexafluoroisopropanol DM001309
13529
Unclear 1 [7]
Sevoflurane Glucuronic acid conjugates DM001310 N. A. Conjugation - Conjugation 2 [7]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003176 Sevoflurane Hexafluoroisopropanol Unclear CYP2E1 [7]
MR003175 Hexafluoroisopropanol Sevoflurane Glucuronic acid conjugates Conjugation - Conjugation . [7]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
Cytochrome P450 2A6 (CYP2A6) DME0005 Homo sapiens
CP2A6_HUMAN
1.14.14.1
[3]
Cytochrome P450 2B6 (CYP2B6) DME0020 Homo sapiens
CP2B6_HUMAN
1.14.14.1
[4]
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Cytochrome P450 2E1 (CYP2E1) DME0013 Homo sapiens
CP2E1_HUMAN
1.14.14.1
[5]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[6]
⏷ Show the Full List of 7  DME(s)
References
1 Sevoflurane was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 SULT 1A3 single-nucleotide polymorphism and the single dose pharmacokinetics of inhaled salbutamol enantiomers: are some athletes at risk of higher urine levels? Drug Test Anal. 2015 Feb;7(2):109-13. doi: 10.1002/dta.1645.
3 Human kidney methoxyflurane and sevoflurane metabolism. Intrarenal fluoride production as a possible mechanism of methoxyflurane nephrotoxicity. Anesthesiology. 1995 Mar;82(3):689-99.
4 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
5 Inhibition of cytochrome P450 2E1 by propofol in human and porcine liver microsomes. Biochem Pharmacol. 2002 Oct 1;64(7):1151-6.
6 Identification of cytochrome P450 2E1 as the predominant enzyme catalyzing human liver microsomal defluorination of sevoflurane, isoflurane, and methoxyflurane. Anesthesiology. 1993 Oct;79(4):795-807.
7 FDA Approved Drug Products: Ultane (sevoflurane), volatile liquid for inhalation

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