(11beta,16alpha)-21-((Bromoacetyl)oxy)-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
Basic information
- CAS
1764-73-4- Standard SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CBr- InChIKey
FXNNNORODUZNGH-LVYMPEDWSA-N- Molecular formula
- C24H30BrFO6
- Average molar mass
- 513.4 g/mol
- Monoisotopic mass
- 512.12098
Names & identifiers
- Preferred name
- (11beta,16alpha)-21-((Bromoacetyl)oxy)-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
- IUPAC
- [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-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] 2-bromoacetate
Names & synonyms
1764-73-4Dexamethasone 21-bromoacetatePregna-1,4-diene-3,20-dione, 21-((bromoacetyl)oxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11beta,16alpha)-RefChem:905628(11beta,16alpha)-21-((Bromoacetyl)oxy)-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
Database identifiers
- CAS
1764-73-4- PubChem CID
- 23623945
- Nikkaji
- J703.690F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 931
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…