[2-(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] phosphate
Basic information
- CAS
2392-39-4- Standard SMILES
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COP(=O)([O-])[O-]- InChIKey
VQODGRNSFPNSQE-UHFFFAOYSA-L- Molecular formula
- C22H28FO8P-2
- Average molar mass
- 470.4 g/mol
- Monoisotopic mass
- 470.15058301
Names & identifiers
- Preferred name
- [2-(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] phosphate
- IUPAC
- [2-(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] phosphate
- English name
- Dexamethasone 21-phosphate disodium salt
- Molecular formula
- C22H28FNa2O8P
- Molecular weight
- 516.4
Names & synonyms
NSC803074NSC-803074NCGC00389489-01decadronphosphateDEXAMETHASON SODIUM PHOSPHATEDEXAMETHASONE PHOSPHATE SODIUMDexamethasone sodium phosphate for peak identification1,4-PREGNADIEN-9-ALPHA-FLUORO-16-ALPHA-METHYL-11-BETA, 17,21-TRIOL-3,20-DIONE 21-PHOSPHATE, DISODIUM SALTAk-DexBaldexDecdandexagro
Show more names
Dexagel
Database identifiers
- CAS
2392-39-4- PubChem CID
- 3006
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- -2
- Complexity
- 961
Physicochemical properties
- Melting point
- 233 · 233-235 °C
- alpha
- 57 ° · D +57° (water); D25 +74 ±4° (calcd on water-free and alcohol-free basis, concn of 10 mg/ml): USP XIX, p 124
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: 50 mg/mL, clear, faintly yellow
- form
- White Powder
- color
- white to off-white
- PH
- 10 g/l, · pH(10g/l, 25℃) : 7.5～10.5
- Water Solubility
- Soluble in water. Slightly soluble in ethanol. Insoluble in dichloromethane.
- Merck
- 13 · 13,2960
- BRN
- 6473066 · 6473066
- Stability
- Hygroscopic
- InChIKey
- PLCQGRYPOISRTQ-FCJDYXGNSA-L
- SMILES
- [C@@]12([H])C[C@@H](C)[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]1(C)C[C@H](O)[C@]1(F)[C@@]3(C)C=CC(=O)C=C3CC[C@@]21[H].[Na+].[Na+] |&1:0,3,5,15,18,20,22,32,r|
- CAS DataBase Reference
- 2392 · 2392-39-4(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 3-10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TU4056000
- hs_code
- 2937220000
- risk_code
- 22-40-63
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H361d
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralRepr. 2
- Precautionary statements
- P201-P301+P312+P330-P308+P313
Chemistry & industry
Applications
UsesDexamethasone 21-phosphate disodium salt acts as an inducer of apoptosis and inhibitor of the sodium phosphate symporter. It is used in the treatment of emetic effects of cancer therapy and epicondylitis. Further, it serves as an activator of food, medicine, glucocorticoid and anti inflammatory.
UsesDexamethasone-21-phosphate disodium salt is used in eye and ear preparations and in systemic preparations.
Usesglucocorticoid, antiinflammatory
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: An organic sodium salt which is the disodium salt of dexamethasone phosphate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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