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

General Information of Drug (ID: DR5096)
Drug Name
Betamethasone
Synonyms
betamethasone; 378-44-9; Betadexamethasone; Flubenisolone; Betamethazone; Rinderon; Visubeta; Celestene; Betnelan; Betapredol; Betacortril; Betacorlan; Methazon; Betsolan; Betamamallet; Hormezon; Betasolon; Betametasone; Cidoten; Bebate; Bedifos; Becort; beta-Methasone; Desacort-Beta; Rinderon A; beta-Methasone alcohol; Betametasona; Betafluorene; Betamethasonum; Celestone; Betamethasone cream; Betamethasone alcohol; Betametasone [DCIT]; 9alpha-Fluoro-16beta-methylprednisolone; Celestone Syrup and Tablets; Celeston; Celestona; Cellestoderm; Luxiqo; Betamethasone Base; Betamethasone Valearate; Betamethasonvalerat Mikron; LT00441022; SCH 4831; Beta-Methasone; Beta-Methasone alcohol; Betametasona [INN-Spanish]; Betamethasonum [INN-Latin]; Betnovate (TN); Celestone (TN); Diprolene (TN); Diprosone (TN); Lotrisone (TN); Rinderon (TN); SCH-4831; Betamethasone (JP15/USP/INN); Betamethasone [USAN:BAN:INN:JAN]; Betamethasone [USAN:INN:BAN:JAN]; Celestone, Betadexamethasone, Flubenisolone, Sch-4831, NCS-39470, Betamethasone; 1,4-Pregnadiene-3,20-dione-9alpha-fluoro-16 beta-methyl-11 beta,17alpha,21-triol; 16beta-Methyl-1,4-pregnadiene-9alpha-fluoro-11beta,17alpha,21-triol-3,20-dione; 9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione; 9-Fluoro-11-beta,17,21-trihydroxy-16-beta-methylpregna-1,4-diene-3,20-dione; 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione; 9-Fluoro-16beta-methylprednisolone; 9-alpha-Fluoro-16-beta-methylprednisolone; 9alpha-Fluoro-16 beta-methyl-prednisolone; Betamethasone sodium phosphate
Indication Inflammation [ICD11: 1A00-CA43] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 392.5 Topological Polar Surface Area 94.8
Heavy Atom Count 28 Rotatable Bond Count 2
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
9782
ChEBI ID
CHEBI:3077
CAS Number
378-44-9
TTD Drug ID
D0CW1P
Formula
C22H29FO5
Canonical SMILES
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C
InChI
InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
InChIKey
UREBDLICKHMUKA-DVTGEIKXSA-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
Betamethasone Metabolite M1 DM018610 N. A. Unclear - Unclear 1 [3]
Betamethasone Metabolite M10 DM018615 N. A. Unclear - Unclear 1 [3]
Betamethasone Metabolite M2 DM018617 N. A. Unclear - Unclear 1 [3]
Betamethasone Metabolite M3 DM015511
6710614
Unclear - Unclear 1 [3]
Betamethasone Metabolite M4 DM018616 N. A. Unclear - Unclear 1 [3]
Betamethasone Metabolite M5 DM016768
154731496
Unclear - Unclear 1 [3]
Betamethasone Metabolite M8 DM018613 N. A. Unclear - Unclear 1 [3]
Betamethasone Metabolite M9 DM018614 N. A. Unclear - Unclear 1 [3]
Betamethasone Metabolite M11 DM018605 N. A. Unclear - Unclear 2 [3]
Betamethasone Metabolite M14 DM018611 N. A. Unclear - Unclear 2 [3]
Betamethasone Metabolite M15 DM018612 N. A. Unclear - Unclear 2 [3]
Betamethasone Metabolite M16 DM018607 N. A. Unclear - Unclear 2 [3]
Betamethasone Metabolite M7 DM018606 N. A. Unclear - Unclear 2 [3]
Betamethasone Metabolite M12 DM018608 N. A. Unclear - Unclear 3 [3]
Betamethasone Metabolite M13 DM018609 N. A. Unclear - Unclear 3 [3]
⏷ Show the Full List of 15  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010743 Betamethasone Betamethasone Metabolite M5 Unclear - Unclear Unclear [3]
MR010749 Betamethasone Betamethasone Metabolite M1 Unclear - Unclear Unclear [3]
MR010752 Betamethasone Betamethasone Metabolite M8 Unclear - Unclear Unclear [3]
MR010753 Betamethasone Betamethasone Metabolite M9 Unclear - Unclear Unclear [3]
MR010754 Betamethasone Betamethasone Metabolite M10 Unclear - Unclear Unclear [3]
MR010755 Betamethasone Betamethasone Metabolite M3 Unclear - Unclear Unclear [3]
MR010756 Betamethasone Betamethasone Metabolite M4 Unclear - Unclear Unclear [3]
MR010757 Betamethasone Betamethasone Metabolite M2 Unclear - Unclear Unclear [3]
MR010750 Betamethasone Metabolite M1 Betamethasone Metabolite M14 Unclear - Unclear Unclear [3]
MR010751 Betamethasone Metabolite M1 Betamethasone Metabolite M15 Unclear - Unclear Unclear [3]
MR010744 Betamethasone Metabolite M5 Betamethasone Metabolite M11 Unclear - Unclear Unclear [3]
MR010745 Betamethasone Metabolite M5 Betamethasone Metabolite M7 Unclear - Unclear Unclear [3]
MR010746 Betamethasone Metabolite M5 Betamethasone Metabolite M16 Unclear - Unclear Unclear [3]
MR010747 Betamethasone Metabolite M11 Betamethasone Metabolite M12 Unclear - Unclear Unclear [3]
MR010748 Betamethasone Metabolite M11 Betamethasone Metabolite M13 Unclear - Unclear Unclear [3]
⏷ Show the Full List of 15 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Enhanced elimination of betamethasone in dichorionic twin pregnancies
3 Detection and characterization of betamethasone metabolites in human urine by LC-MS/MS

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