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5-fluoro-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]-1H-pyrimidine-2,4-dione

HCID 323096
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Basic information

CAS
69636-80-2
Standard SMILES
CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(O)C(=O)Cn1c(=O)[nH]cc(F)c1=O
InChIKey
ZWFYUBZSEAXTCZ-UHFFFAOYSA-N
Molecular formula
C25H31FN2O5
Average molar mass
458.5 g/mol
Monoisotopic mass
458.22170026

Names & identifiers

Preferred name
5-fluoro-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]-1H-pyrimidine-2,4-dione
IUPAC
5-fluoro-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]-1H-pyrimidine-2,4-dione

Names & synonyms

NSC28184469636-80-2DTXSID60314296NSC-28184421-(5-Fluoro-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-17-hydroxypregn-4-ene-3,20-dione

Database identifiers

CAS
69636-80-2
PubChem CID
323096
DTXSID
DTXSID60314296

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
104 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
33
Formal charge
0
Complexity
1,020

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