Prednylidene
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-16-methylidene-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one
Molecular Identity
Prednylidene
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-16-methylidene-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one
PubChem CID: 20055008
Prednylidene is a 21-hydroxy steroid.
2D Structure
Properties
C22H28O5
Molecular Formula
372.50
Molecular Weight
g/mol
372.1937
Exact Mass
Da
1.6
XLogP
Drug-like (Lipinski: < 5)
94.8
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
795
Complexity
SMILES
Canonical SMILES
SMILES: CC12CC(C3C(C1CC(=C)C2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)OIsomeric SMILES
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC(=C)[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)OSynonyms(20)
PREDNYLIDENE599-33-7DecortilenPrednilidenoPrednylidenumDacorsol16-MethyleneprednisoloneIF8PQP966UPrednylidene [INN:BAN:DCF]DTXSID50208610ST104METHYLENPREDNISOLONE(11-beta)-11,17,21-Trihydroxy-16-methylenepregna-1,4-diene-3,20-dionePrednylidene (INN:BAN:DCF)Pred
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Prednylidene
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