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

General Information of Drug (ID: DR1048)
Drug Name
Methoxyflurane
Synonyms
Methofane; Methoflurane; Methoxane; Methoxiflurane; Methoxifluranum; Methoxyfluoran; Methoxyfluorane; Methoxyfluran; Methoxyfluranum; Methoxyfluranum [INN-Latin]; Metofane; Metofane (VAN); Metossiflurano [DCIT]; Metoxfluran; Metoxifluran; Metoxiflurano; Metoxiflurano [INN-Spanish]; Penthrane; Penthrane (VAN); Pentran; Pentrane; methoxyflurane; Analgizer; Anecotan; Ingalan; Inhalan; 2,2-Dichloro-1,1-difluoro-1-methoxyethane; 2,2-Dichloro-1,1-difluoroethyl methyl ether; 76-38-0; Ethane, 2,2-dichloro-1,1-difluoro-1-methoxy-
Indication Anaesthesia [ICD11: 8E22] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 164.96 Topological Polar Surface Area 9.2
Heavy Atom Count 8 Rotatable Bond Count 2
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
4116
PubChem SID
9720 ; 409141 ; 3219845 ; 7666803 ; 7847610 ; 8152583 ; 10535151 ; 12055768 ; 14772496 ; 29223224 ; 46508879 ; 48423662 ; 49855814 ; 50113268 ; 50702824 ; 57309755 ; 57322151 ; 103427852 ; 104305473 ; 117484889 ; 117650907 ; 118838651 ; 125374192 ; 129121548 ; 131498568 ; 132511622 ; 134337971 ; 134971540 ; 135586124 ; 136987072 ; 137004982 ; 143456706 ; 143799541 ; 144206179 ; 160964363 ; 162765240 ; 163788948 ; 164812131 ; 176318772 ; 178103808 ; 179225909 ; 184554813 ; 187072658 ; 198981352 ; 202542063 ; 204417825 ; 223439742 ; 226492719 ; 241138142 ; 249944760
ChEBI ID
CHEBI:6843
CAS Number
76-38-0
TTD Drug ID
D07SOO
Formula
C3H4Cl2F2O
Canonical SMILES
COC(C(Cl)Cl)(F)F
InChI
1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3
InChIKey
RFKMCNOHBTXSMU-UHFFFAOYSA-N
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
[3]
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
[4]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
⏷ Show the Full List of 7  DME(s)
References
1 Methoxyflurane was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 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.
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 Construction and assessment of models of CYP2E1: predictions of metabolism from docking, molecular dynamics, and density functional theoretical calculations. J Med Chem. 2003 Apr 24;46(9):1645-60.

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