9-Fluoro-11-hydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione

HCID 499992CAS 3109-01-1
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1=O
InChIKey
IZLVPOBNINIXJM-UHFFFAOYSA-N
Molecular formula
C20H25FO3
Average molar mass
332.4 g/mol

Names & identifiers

Preferred name
9-Fluoro-11-hydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
IUPAC
9-fluoro-11-hydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
English name
Betamethasone-17-ketone
Molecular formula
C20H25FO3
Molecular weight
332.41

Names & synonyms

NSC50909Dexamethasone Impurity 54NSC52437AKOS0302416699-fluoro-11-hydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione9-fluoro-11-hydroxy-10,13,16-trimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-3h-cyclopenta[a]phenanthrene-3,17(6h)-dione17-OxoβmethasoneBetamethasone-17-ketoneBetamethasone 17-Oxo ImpurityClobetasol Propionate Impurity 129α-Fluoro-11β-hydroxy-16β-Methyl-1,4-androstadiene-3,17-dione9-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dione
Show more names
Betamethasone-17-ketone (9α-Fluoro-11β-hydroxy-16β-methylandrosta-1,4-diene-3,17-dione)Betamethasone-17-ketone (9alpha-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dione)(8S,9R,10S,11S,13S,14S,16S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione(8S,9R,10S,11S,13S,16S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-3H-cyclopenta[a]phenanthrene-3,17(6H)-dione

Database identifiers

CAS
3109-01-1
PubChem CID
499992

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
54.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
24

Physicochemical properties

Melting point
295 · 295-297°C
Boiling point
478.785 · 478.785±45.00 °C(Press: 760.00 Torr)(predicted)
Density
1.237 · 1.237±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.
Refrigerator
solubility
Chloroform (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

Safety data

hs_code
9999999999

Chemistry & industry

Applications

UsesA metabolite of Betamethasone.

Suppliers40 total

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

Additional notes

DefinitionChEBI: 9-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dione is a 3-hydroxy steroid. It has a role as an androgen.

Related reactions

1 records
New reaction record

Linked notes

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