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

General Information of Drug (ID: DR5130)
Drug Name
Oxandrolone
Synonyms
Anavar; Lonavar; Ossandrolone; Oxandrin; Oxandrolona; Oxandrolonum; Protivar; Provitar; Vasorome; Ossandrolone [DCIT]; SC 11585; Anavar (TN); Oxandrin (TN); Oxandrolona [INN-Spanish]; Oxandrolonum [INN-Latin]; SC-11585; Oxandrin, Anavar, Oxandrolone; Oxandrolone (JAN/USP/INN); Oxandrolone [USAN:INN:BAN:JAN]; Dodecahydro-3-hydroxy-6-(hydroxy-methyl)-3,3a,6-trimethyl-1H-benz(e)indene-7-acetic acid delta-lactone; (1S,3aS,3bR,5aS,9aS,9bS,11aS)-1-hydroxy-1,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,6,9,9b,10,11-dodecahydroindeno[4,5-h]isochromen-7-one; (4aS,4bS,6aS,7S,9aS,9bR,11aS)-7-hydroxy-4a,6a,7-trimethyltetradecahydroindeno[4,5-h]isochromen-2(1H)-one; 17-beta-hydroxy-17-methyl-2-oxa-androstan-3-one; 17-beta-hydroxy-17-methyl-2-oxa-androstan-3-one (9CI); 17beta-Hydroxy-17-methyl-2-oxa-5alpha-androstan-3-one; 17beta-Hydroxy-17alpha-methyl-2-oxa-5alpha-androstan-3-one; 2-Oxa-5alpha-androstan-3-one, 17beta-hydroxy-17-methyl-(8CI); 2-Oxaandrostan-3-one, 17-hydroxy-17-methyl-, (5-alpha,17-beta)-(9CI)
Indication Alcoholic hepatitis [ICD11: DB94] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 306.4 Topological Polar Surface Area 46.5
Heavy Atom Count 22 Rotatable Bond Count 0
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
5878
ChEBI ID
CHEBI:7820
CAS Number
53-39-4
TTD Drug ID
D0U3GL
Formula
C19H30O3
Canonical SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(COC(=O)C4)C
InChI
InChI=1S/C19H30O3/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6-8-18(2)15(13)7-9-19(18,3)21/h12-15,21H,4-11H2,1-3H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1
InChIKey
QSLJIVKCVHQPLV-PEMPUTJUSA-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
17alpha-Ethinylestradiol DM002643
5991
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010821 Oxandrolone 17alpha-ethinylestradiol Unclear - Unclear Unclear [2]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7092).
2 Fast and Sensitive Screening of Oxandrolone and Its Major Metabolite 17-Epi-Oxandrolone in Human Urine by UHPLC-MS/MS with On-Line SPE Sample Pretreatment

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.