Molecular Identity
Prednisone acetate
[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
PubChem CID: 91438
Cortancyl is a tertiary alpha-hydroxy ketone, a 17alpha-hydroxy steroid, a 20-oxo steroid, an acetate ester, an 11-oxo steroid, a steroid ester and a 3-oxo-Delta(1),Delta(4)-steroid. It is functionally related to a prednisone.
2D Structure
Properties
C23H28O6
Molecular Formula
400.50
Molecular Weight
g/mol
400.1886
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
97.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
869
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Prednisone acetate125-10-0Prednisone 21-acetateCortancyldelta1-Cortisone-21-acetatedelta'-Dehydrocortisone acetateprednisone-21-acetateOU93QEL83U21-Acetoxy-17alpha-hydroxypregna-1,4-diene-3,11,20-trioneNSC-109651,4-Pregnadien-17alpha,21-diol-3,11,20-trione-21-acetateCHEBI:34655DTXSID20154539RefChem:868422DTXCID3077030
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Prednisone acetate
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