CHEBI:4462 - dexamethasone sodium phosphate

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ChEBI Name dexamethasone sodium phosphate
ChEBI ID CHEBI:4462
Definition An organic sodium salt which is the disodium salt of dexamethasone phosphate.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C22H28FNa2O8P
C22H28FO8P.2Na
Net Charge 0
Average Mass 516.40462
Monoisotopic Mass 516.13012
InChI InChI=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
InChIKey PLCQGRYPOISRTQ-FCJDYXGNSA-L
SMILES [Na+].[Na+].[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@]12C
Roles Classification
Biological Role(s): glucocorticoid receptor agonist
An agonist that selectively binds to and activates a glucocorticoid receptor.
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ChEBI Ontology
Outgoing 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 Sources
Dalalone KEGG DRUG
Dexamethasone 21-(disodium phosphate) ChemIDplus
Dexamethasone sodium phosphate KEGG DRUG
Sodium dexamethasone phosphate ChemIDplus
Manual Xref Database
D00975 KEGG DRUG
View more database links
Registry Numbers Types Sources
2392-39-4 CAS Registry Number KEGG DRUG
2392-39-4 CAS Registry Number ChemIDplus
Last Modified
05 October 2012