Molecular Identity
Megestrol
(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
PubChem CID: 19090
Megestrol is a 3-oxo 4-steroid that is pregna-4,6-diene-3,20-dione substituted by a methyl group at position 6 and a hydroxy group at position 17. It has a role as an antineoplastic agent, a contraceptive drug, a synthetic oral contraceptive, an appetite enhancer and a progestin. It is a tertiary alpha-hydroxy ketone, a 17alpha-hydroxy steroid, a 20-oxo steroid and a 3-oxo-Delta(4) steroid.
2D Structure
Properties
C22H30O3
Molecular Formula
342.50
Molecular Weight
g/mol
342.2195
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
54.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
717
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC2C(CCC3(C2CCC3(C(=O)C)O)C)C4(C1=CC(=O)CC4)CIsomeric SMILES
SMILES: CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)CSynonyms(20)
megestrol3562-63-8MegestroloPregna-4,6-diene-3,20-dione, 17-hydroxy-6-methyl-ChronopilMegestrolum(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-oneEA6LD1M70MDTXSID001009330CHEBI:6722(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta(a)phenanthren-3-oneCompound 5071RefChem:55564G03AC05G03DB02
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Megestrol
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