Basic information
- CAS
382-52-5- Standard SMILES
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]2(C)C=CC(=O)C=C12- InChIKey
AWFOJLJWZNBTBX-MJWISQFFSA-N- Molecular formula
- C22H29FO5
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.19990218
Overview
9alpha-Fluoro-11beta,17alpha,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione is a 21-hydroxy steroid.
Names & identifiers
- Preferred name
- 6alpha-Methyl-9alpha-fluoroprednisolone
- IUPAC
- (6S,8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
- English name
- (6a, 11)-9-fluoro-11,17, 21-Trihydroxy-6-Methylpregna-1, 4-Diene-3, 20-Dione
- Molecular formula
- C22H29FO5
- Molecular weight
- 392.46
Names & synonyms
382-52-59alpha-Fluoro-6alpha-methylprednisolone6alpha-methyl-9alpha-fluoroprednisoloneJ2I9Y46AHBNSC-19621NSC-489869alpha-Fluoro-11beta,17alpha,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dionePregna-1,4-diene-3,20-dione,9-fluoro-11beta,17,21-trihydroxy-6alpha-methyl-Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-6-methyl-, (6alpha,11beta)-RefChem:1074156UNII-J2I9Y46AHB9?-Fluoro-6?-methylprednisolone
Show more names
Fluorometholone Impurity 6Methylprednisolone Impurity 429α-Fluoro-6α-methylprednisoloneFluorometholone 21-hydroxy analogueChlorotoluron Impurity 7 (Chloroxuron)(6α,11β)-9-Fluoro-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione(6alpha)-9-fluoro-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione(6a, 11)-9-fluoro-11,17, 21-Trihydroxy-6-Methylpregna-1, 4-Diene-3, 20-Dione
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 805
Physicochemical properties
- Melting point
- 243 · 243-250 °C
- Boiling point
- 568.2 · 568.2±50.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 12.11 · 12.11±0.70(Predicted)
- FDA UNII
- 2 I9Y46AHB · J2I9Y46AHB
Chemistry & industry
Applications
Uses9α-Fluoro-6α-methylprednisolone is an intermediate used to prepare androstene derivatives for use as anti-inflammatory agents.
Suppliers16 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [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]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
廊坊市泽康医药科技有限公司0316-2883536 19333636468 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
湖北威德利化学试剂有限公司15871722230 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
扬州长华生物科技有限公司15189846850 13815846020 · [email protected]
四川嘉瑛莱科技有限责任公司028-64159575 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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