5-fluoro-3-[2-(17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
Basic information
- CAS
69636-77-7- Standard SMILES
CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)Cn1c(=O)[nH]cc(F)c1=O- InChIKey
XPZFBPSEAITFLP-UHFFFAOYSA-N- Molecular formula
- C25H29FN2O6
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.20096481
Names & identifiers
- Preferred name
- 5-fluoro-3-[2-(17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
- IUPAC
- 5-fluoro-3-[2-(17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
Names & synonyms
NSC28184169636-77-7DTXSID80314293NSC-28184121-(5-Fluoro-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-17-hydroxypregn-4-ene-3,11,20-trione
Database identifiers
- CAS
69636-77-7- PubChem CID
- 323093
- DTXSID
DTXSID80314293
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 1,100
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Compound notes
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