Pregna-1,4-diene-3,20-dione, 21-(benzoyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11beta,16beta)-
Basic information
- CAS
24356-48-7- 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)c1ccccc1- InChIKey
ZKSINCBYLYPTFL-YCUXZELOSA-N- Molecular formula
- C29H33FO6
- Average molar mass
- 496.6 g/mol
- Monoisotopic mass
- 496.22611693
Names & identifiers
- Preferred name
- Pregna-1,4-diene-3,20-dione, 21-(benzoyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11beta,16beta)-
- IUPAC
- [2-[(8S,9R,10S,11S,13S,14S,16S,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] benzoate
Names & synonyms
24356-48-7RefChem:868449Pregna-1,4-diene-3,20-dione, 21-(benzoyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11.beta.,16.beta.)-Pregna-1,4-diene-3,20-dione, 21-(benzoyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11beta,16beta)-Betamethasone 21-BenzoateMethy-21-benzoate; 9-Fluoro-11ss,17,21-trihydroxy-16ss-methyl-pregna-1,4-diene-3,20-dione-21-benzoate; 2-((8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl Benzoate;SCHEMBL11047503
Database identifiers
- CAS
24356-48-7- PubChem CID
- 12960897
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,030
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Other Safety InformationIMAP assessments - Pregna-1,4-diene-3,20-dione, 21-(benzoyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11.beta.,16.beta.)-: Environment tier I assessment
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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