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

General Information of Drug (ID: DR5058)
Drug Name
Oseltamivir
Prodrug Info Oseltamivir is the prodrug of Oseltamivir carboxylate
Synonyms Tamiflu (*Phosphate salt 1:1*); Agucort; Oseltamivirum; Tamvir; GS 4104; GS4104; Agucort (TN); GS-4104; Oseltamivir (INN); Oseltamivir [INN:BAN]; Ro-640796; Tamiflu (TN); Tamiflu-Free; Ro-64-0796; OTV
Indication Influenza virus infection [ICD11: 1E30-1E32] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 312.4 Topological Polar Surface Area 90.6
Heavy Atom Count 22 Rotatable Bond Count 8
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
65028
ChEBI ID
CHEBI:7798
CAS Number
196618-13-0
TTD Drug ID
D0O5NK
Formula
C16H28N2O4
Canonical SMILES
CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC
InChI
InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
InChIKey
VSZGPKBBMSAYNT-RRFJBIMHSA-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
Oseltamivir carboxylate DM015301
449381
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010892 Oseltamivir Oseltamivir carboxylate Unclear - Unclear ES [2]
References
1 Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
2 Pharmacokinetics of oseltamivir phosphate and oseltamivir carboxylate in non-pregnant and pregnant rhesus monkeys

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