Basic information
- CAS
52-70-0- Standard SMILES
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C- InChIKey
LAAFISZDLHQNFS-WGFKBPOKSA-N- Molecular formula
- C23H28F2O6
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.18539506
Names & identifiers
- Preferred name
- (6alpha,11beta)-21-(Acetyloxy)-6,9-difluoro-11,17-dihydroxypregna-1,4-diene-3,20-dione
- IUPAC
- [2-[(6S,8S,9R,10S,11S,13S,14S,17R)-6,9-difluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- English name
- 6alpha,9-difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate
- Molecular formula
- C23H28F2O6
- Molecular weight
- 438.46
Names & synonyms
(6alpha,11beta)-21-(Acetyloxy)-6,9-difluoro-11,17-dihydroxypregna-1,4-diene-3,20-dioneRefChem:40512452-70-06alpha,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetateDifluoroprednisolone-21-Acetate[2-[(6S,8S,9R,10S,11S,13S,14S,17R)-6,9-difluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate(6|A,11|A)-21-(Acetyloxy)-6,9-difluoro-11,17-dihydroxypregna-1,4-diene-3,20-dionePregna-1,4-diene-3,20-dione, 21-(acetyloxy)-6,9-difluoro-11,17-dihydroxy-, (6alpha,11beta)-Pregna-1,4-diene-3,20-dione, 6alpha,9-difluoro-11beta,17,21-trihydroxy-, 21-acetate6a,?9a-?Difluoroprednisolone 21-Acetate6alpha,9alpha-Difluoroprednisolone 21-acetateEINECS 200-150-9
Show more names
Difluprednate Impurity 206α,9α-Difluoroprednisolone 21-Acetate6a,9a-Difluoroprednisolone 21-Acetate6α,?9α-?Difluoroprednisolone 21-Acetate
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 914
Physicochemical properties
- Melting point
- 235 °C · >235°C (dec.)
- Boiling point
- 578.133 · 578.133±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.358 · 1.358±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Refrigerator
- solubility
- Acetone (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 11.907 · 11.907±0.70(predicted)
- color
- White to Off-White
- FDA UNII
- 953 PJH8Y9L · 953PJH8Y9L
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Applications
Uses6α,9α-Difluoroprednisolone 21-Acetate, is an impurity of Difluprednate (D445925), which is shown to have antiinflammatory activity.
Suppliers15 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
深圳卓越生物医药科技有限公司26050679 18318671572 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
湖北摩科生物科技有限公司18274848843 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Related reactions
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Compound notes
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