Betamethasone valeroacetate
Basic information
- CAS
5919-89-1- Standard SMILES
CCCCC(=O)O[C@]1(C(=O)COC(C)=O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C- InChIKey
QSZKFXMOBKKROF-YCUXZELOSA-N- Molecular formula
- C29H39FO7
- Average molar mass
- 518.6 g/mol
- Monoisotopic mass
- 518.26798174
Names & identifiers
- Preferred name
- Betamethasone valeroacetate
- IUPAC
- [(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-acetyloxyacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate
- English name
- 9-fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-acetate 17-valerate
- Molecular formula
- C29H39FO7
- Molecular weight
- 518.62
Names & synonyms
Betamethasone valeroacetateF069Y6XCZ6EINECS 227-644-7BETAMETHASONE VALEROACETATE [WHO-DD]BETAMETHASONE 17-VALERATE 21-ACETATEPREGNA-1,4-DIENE-3,20-DIONE, 21-(ACETYLOXY)-9-FLUORO-11-HYDROXY-16-METHYL-17-((1-OXOPENTYL)OXY)-, (11.BETA.,16.BETA.)-PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11.BETA.,17,21-TRIHYDROXY-16.BETA.-METHYL-, 21-ACETATE 17-VALERATEPregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-17-[(1-oxopentyl)oxy]-, (11.beta.,16.beta.)-RefChem:568012PREGNA-1,4-DIENE-3,20-DIONE, 21-(ACETYLOXY)-9-FLUORO-11-HYDROXY-16-METHYL-17-((1-OXOPENTYL)OXY)-, (11BETA,16BETA)-PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11BETA,17,21-TRIHYDROXY-16BETA-METHYL-, 21-ACETATE 17-VALERATE5919-89-1
Show more names
(2e)-2-cyano-3-(1h-indol-3-yl)-n-(4-methoxyphenyl)acrylamide21-(Acetyloxy)-9-fluoro-11β-hydroxy-16β-methyl-17-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dionePregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-17-[(1-oxopentyl)oxy]-, (11β,16β)-
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,060
Physicochemical properties
- Boiling point
- 613 · 613.0±55.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 12.89 · 12.89±0.70(Predicted)
- FDA UNII
- 69 Y6XCZ6 · F069Y6XCZ6
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-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-17-[(1-oxopentyl)oxy]-, (11.beta.,16.beta.)-: Environment tier I assessment
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…