Basic information
- CAS
2600-31-9- Standard SMILES
CCCCC(=O)OCC(=O)[C@@]1(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
FEROCCAEIIKMJT-OMPPIWKSSA-N- Molecular formula
- C27H37FO6
- Average molar mass
- 476.6 g/mol
- Monoisotopic mass
- 476.25741706
Names & identifiers
- Preferred name
- Dexamethasone 21-valerate
- IUPAC
- [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate
Names & synonyms
Dexamethasone 21-valerate2600-31-9VoallaDexamethasone 21-pentanoateF2EHP3G50P[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate(11beta,16alpha)-9-Fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dioneVoalla (TN)Zalucs (TN)Dexamethasone pentanoateUNII-F2EHP3G50PSCHEMBL124722
Show more names
(11|A,16|A)-9-Fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dioneEINECS 220-003-2NS00045511D07800F571622Q27277541(11beta,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl pentanoate2-((8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl pentanoate, Dexamethasone Impurity
Database identifiers
- CAS
2600-31-9- PubChem CID
- 5284540
- UNII
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 957
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 Classification
Warning
H302+H332 (50%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
P260, P261, P264, P270, P271, P301+P317, P304+P340, P317, P319, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSTOT RE 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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