Basic information
- Standard SMILES
CC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C- InChIKey
AKUJBENLRBOFTD-UHFFFAOYSA-N- Molecular formula
- C24H31FO6
- Average molar mass
- 434.5 g/mol
- Monoisotopic mass
- 434.21046687
Overview
See also: Betamethasone Acetate (annotation moved to).
Names & identifiers
- Preferred name
- 9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate
- IUPAC
- [2-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
Names & synonyms
DTXSID708595679-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetateRefChem:1074978DTXCID70203985Dexamethasone-21-acetates3124MFCD008674629alpha-Fluoro-16alpha-methyl-11beta,17alpha,21-trihydroxy-1,4-pregnadiene-3,20-dione-21-acetateSCHEMBL1116231AKUJBENLRBOFTD-UHFFFAOYSA-NHMS5081A189alpha-Fluoro-11beta,17alpha,21-trihydroxy-16beta-methyl-1,4-pregnadiene-3,20-dione 21-Acetate
Show more names
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11.beta.,16.beta.)-AKOS037643321[2-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] acetate[2-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetateAS-13823
Database identifiers
- PubChem CID
- 3680
- DTXSID
DTXSID70859567
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 910
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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