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CHEBI:4462 - dexamethasone sodium phosphate

ChEBI IDCHEBI:4462
ChEBI Namedexamethasone sodium phosphate
Stars
DefinitionAn organic sodium salt which is the disodium salt of dexamethasone phosphate.
Last Modified5 October 2012
DownloadsMolfile
FormulaC22H28FO8P.2Na
Net Charge0
Average Mass516.410
Monoisotopic Mass516.13012
SMILES[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COP(=O)([O-])[O-])[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C.[Na+].[Na+]
InChIInChI=1S/C22H30FO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t12-,15+,16+,17+,19+,20+,21+,22+;;/m1../s1
InChIKeyPLCQGRYPOISRTQ-FCJDYXGNSA-L
Roles Classification
Biological Role:
glucocorticoid receptor agonist  An agonist that selectively binds to and activates a glucocorticoid receptor.
ChEBI Ontology
Outgoing Relation(s)
dexamethasone sodium phosphate (CHEBI:4462) has part dexamethasone phosphate(2−) (CHEBI:68638)
dexamethasone sodium phosphate (CHEBI:4462) has role glucocorticoid receptor agonist (CHEBI:63562)
dexamethasone sodium phosphate (CHEBI:4462) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
disodium 9-fluoro-11β,17-dihydroxy-16α-methyl-3,20-dioxopregna-1,4-dien-21-yl phosphate
Synonyms  Source
Dexamethasone sodium phosphateKEGG DRUG
DalaloneKEGG DRUG
Sodium dexamethasone phosphateChemIDplus
Dexamethasone 21-(disodium phosphate)ChemIDplus
Manual XrefsDatabases
D00975KEGG DRUG
Registry NumbersSources
CAS:2392-39-4KEGG DRUG
CAS:2392-39-4ChemIDplus