Basic information
- CAS
1549-35-5- Standard SMILES
CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C- InChIKey
MOWWOWAMHCZEEC-QZIXMDIESA-N- Molecular formula
- C24H33FO6
- Average molar mass
- 436.5 g/mol
- Monoisotopic mass
- 436.22611693
Names & identifiers
- Preferred name
- 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregn-4-ene-3,20-dione 21-acetate
- IUPAC
- [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- English name
- 9-fluoro-11beta,17,21-trihydroxy-16beta-methylpregn-4-ene-3,20-dione 21-acetate
- Molecular formula
- C24H33FO6
- Molecular weight
- 436.51
Names & synonyms
1549-35-59-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregn-4-ene-3,20-dione 21-acetateEINECS 216-286-7[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetateSCHEMBL10629617DTXSID10935091NS00047601I821249-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregn-4-en-21-yl acetate9-Fluoro-11beta,17-dihydroxy-16beta-methyl-3,20-dioxopregn-4-en-21-yl acetatePregn-4-ene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11|A,16|A)-PREGN-4-ENE-3,20-DIONE, 21-(ACETYLOXY)-9-FLUORO-11,17-DIHYDROXY-16-METHYL-, (11BETA,16BETA)-
Show more names
Betamethasone Acetate Impurity 921-(Acetyloxy)-9-fluoro-11β,17-dihydroxy-16β-methylpregn-4-ene-3,20-dione2-((8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate (Betamethasone Impurity 2)
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 868
Physicochemical properties
- Boiling point
- 578.307 · 578.307±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.281 · 1.281±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.087 · 12.087±0.70(predicted)
Chemistry & industry
Suppliers9 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [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]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
四川嘉瑛莱科技有限责任公司028-64159575 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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