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

General Information of Drug (ID: DR0885)
Drug Name
Isoflurane
Synonyms
Isoflurano; Isoflurano [INN-Spanish]; Isofluranum; Isofluranum [INN-Latin]; PIWKPBJCKXDKJR-UHFFFAOYSA-N; R-E 235dal; isoflurane; AErrane (Veterinary); Aerrane; Compound 469; Forane; Forene; IsoFlo; 1-Chloro-2,2,2-trifluoroethyl difluoromethyl ether; 2-Chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane; 26675-46-7; BRN 1852087; CCRIS 3043; CHEBI:6015; EINECS 247-897-7; Ethane, 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoro-; Ether, 1-chloro-2,2,2-trifluoroethyl difluoromethyl; Isoflurane [Anaesthetics, volatile]; MFCD00066609
Indication Anaesthesia [ICD11: 8E22] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 184.49 Topological Polar Surface Area 9.2
Heavy Atom Count 10 Rotatable Bond Count 2
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
3763
PubChem SID
9721 ; 3159889 ; 3723212 ; 4697021 ; 7847611 ; 7979654 ; 8152381 ; 10516331 ; 15195236 ; 29222882 ; 46505880 ; 48413913 ; 49836645 ; 49857441 ; 50125772 ; 53790766 ; 53801075 ; 56310699 ; 56310955 ; 56311499 ; 56311786 ; 56311841 ; 56311862 ; 56313386 ; 56313446 ; 56313448 ; 56313544 ; 56313545 ; 57321983 ; 80689362 ; 85175968 ; 92714281 ; 97857709 ; 103385005 ; 104304448 ; 117648535 ; 118838432 ; 124893641 ; 125307939 ; 125346539 ; 126629601 ; 127261761 ; 127261762 ; 127261763 ; 127261764 ; 127261765 ; 127261766 ; 128922443 ; 131308078 ; 131465775
ChEBI ID
ChEBI:6015
CAS Number
26675-46-7
TTD Drug ID
D0DP6L
Formula
C3H2ClF5O
Canonical SMILES
C(C(F)(F)F)(OC(F)F)Cl
InChI
1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H
InChIKey
PIWKPBJCKXDKJR-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
Trifluoroacetic acid DM001003
6422
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001231 Isoflurane Trifluoroacetic acid Unclear CYP2E1 [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2B6 (CYP2B6) DME0020 Homo sapiens
CP2B6_HUMAN
1.14.14.1
[2]
Cytochrome P450 2E1 (CYP2E1) DME0013 Homo sapiens
CP2E1_HUMAN
1.14.14.1
[3]
References
1 Isoflurane was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
3 Clinical isoflurane metabolism by cytochrome P450 2E1. Anesthesiology. 1999 Mar;90(3):766-71.

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