9-Fluoro-11beta,17-dihydroxy-16alpha,21-bis(methoxymethoxy)-pregna-1,4-diene-3,20-dione
Basic information
- CAS
2822-16-4- Standard SMILES
COCOCC(=O)[C@@]1(O)[C@H](OCOC)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C- InChIKey
ILZJMIMHRAHSNQ-RBWIMXSLSA-N- Molecular formula
- C25H35FO8
- Average molar mass
- 482.5 g/mol
- Monoisotopic mass
- 482.23159623
Names & identifiers
- Preferred name
- 9-Fluoro-11beta,17-dihydroxy-16alpha,21-bis(methoxymethoxy)-pregna-1,4-diene-3,20-dione
- IUPAC
- (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,17-dihydroxy-16-(methoxymethoxy)-17-[2-(methoxymethoxy)acetyl]-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
- English name
- 9-Fluoro-11β,17-dihydroxy-16α,21-bis(MethoxyMethoxy)-pregna-1,4-diene-3,20-dione
- Molecular formula
- C25H35FO8
- Molecular weight
- 482.54
Names & synonyms
2822-16-49-Fluoro-11beta,17-dihydroxy-16alpha,21-bis(methoxymethoxy)-pregna-1,4-diene-3,20-dione(8S,9R,10S,11S,13S,14S,16R,17S)-9-Fluoro-11,17-dihydroxy-16-(methoxymethoxy)-17-[2-(methoxymethoxy)acetyl]-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-oneFF101371DB-2297359-Fluoro-11β,17-dihydroxy-16α,21-bis(MethoxyMethoxy)-pregna-1,4-diene-3,20-dione"9-Fluoro-11β,17-dihydroxy-16a,21-bis(methoxymethoxy)-pregna-1,4-diene-3,20-dione"Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17-dihydroxy-16α,21-bis(methoxymethoxy)- (7CI,8CI)9-Fluoro-11β,17-dihydroxy-16α,21-bis(methoxymethoxy)-pregna-1,4-diene-3,20-dione, CAS 2822-16-4
Database identifiers
- CAS
2822-16-4- PubChem CID
- 131667994
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 903
Physicochemical properties
- solubility
- soluble in Chloroform, Dichloromethane, Dimethyl Formamide, Methanol
- form
- Solid
- color
- White
Chemistry & industry
Applications
UsesTriamcinolone (T767160) derivative.
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Related reactions
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Compound notes
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