3-[2-(17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl]-5-methyl-1H-pyrimidine-2,4-dione
Basic information
- CAS
69636-78-8- Standard SMILES
Cc1c[nH]c(=O)n(CC(=O)C2(O)CCC3C4CCC5=CC(=O)CCC5(C)C4CCC32C)c1=O- InChIKey
OPUJKTMPSAKLQY-UHFFFAOYSA-N- Molecular formula
- C26H34N2O5
- Average molar mass
- 454.6 g/mol
- Monoisotopic mass
- 454.24677219
Names & identifiers
- Preferred name
- 3-[2-(17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl]-5-methyl-1H-pyrimidine-2,4-dione
- IUPAC
- 3-[2-(17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl]-5-methyl-1H-pyrimidine-2,4-dione
Names & synonyms
NSC28184269636-78-8DTXSID4031429417-Hydroxy-21-(5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)pregn-4-ene-3,20-dione
Database identifiers
- CAS
69636-78-8- PubChem CID
- 323094
- DTXSID
DTXSID40314294
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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