CHEBI:3078 - betamethasone sodium phosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name betamethasone sodium phosphate
ChEBI ID CHEBI:3078
Definition An organic sodium salt that is the disodium salt of betamethasone phosphate.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formulae C22H28FNa2O8P
C22H28FO8P.2Na
Net Charge 0
Average Mass 516.40460
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-;;/m0../s1
InChIKey PLCQGRYPOISRTQ-LWCNAHDDSA-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
ChEBI Ontology
Outgoing betamethasone sodium phosphate (CHEBI:3078) has part betamethasone phosphate(2−) (CHEBI:68604)
betamethasone sodium phosphate (CHEBI:3078) is a organic sodium salt (CHEBI:38700)
betamethasone sodium phosphate (CHEBI:3078) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name
disodium 9-fluoro-11β,17-dihydroxy-16β-methyl-3,20-dioxopregna-1,4-dien-21-yl phosphate
Synonyms Sources
9-Fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 21-(disodium phosphate) ChemIDplus
Betamethasone 21-disodium phosphate ChemIDplus
Betamethazone disodium phosphate ChemIDplus
Manual Xrefs Databases
D00972 KEGG DRUG
DB00443 DrugBank
View more database links
Registry Number Type Source
151-73-5 CAS Registry Number ChemIDplus
Last Modified
07 February 2018