CHEBI:50894 - betamethasone acibutate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name betamethasone acibutate
ChEBI ID CHEBI:50894
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C28H37FO7
Net Charge 0
Average Mass 504.58758
Monoisotopic Mass 504.25233
InChI InChI=1S/C28H37FO7/c1-15(2)24(34)36-28(23(33)14-35-17(4)30)16(3)11-21-20-8-7-18-12-19(31)9-10-25(18,5)27(20,29)22(32)13-26(21,28)6/h9-10,12,15-16,20-22,32H,7-8,11,13-14H2,1-6H3/t16-,20-,21-,22-,25-,26-,27-,28-/m0/s1
InChIKey KGNVBESWWSSQAN-QEVRMTOFSA-N
SMILES [H][C@@]12C[C@H](C)[C@](OC(=O)C(C)C)(C(=O)COC(C)=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 acibutate (CHEBI:50894) has functional parent betamethasone (CHEBI:3077)
betamethasone acibutate (CHEBI:50894) is a 11β-hydroxy steroid (CHEBI:35346)
betamethasone acibutate (CHEBI:50894) is a 20-oxo steroid (CHEBI:36885)
betamethasone acibutate (CHEBI:50894) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
betamethasone acibutate (CHEBI:50894) is a acetate ester (CHEBI:47622)
betamethasone acibutate (CHEBI:50894) is a fluorinated steroid (CHEBI:50830)
betamethasone acibutate (CHEBI:50894) is a steroid ester (CHEBI:47880)
IUPAC Name
21-acetoxy-9-fluoro-11β-hydroxy-16β-methyl-3,20-dioxopregna-1,4-dien-17-yl 2-methylpropanoate
INNs Sources
acibutate de bétaméthasone ChEBI
acibutato de betametasona ChEBI
betamethasone acibutate ChEBI
betamethasoni acibutas ChEBI
Synonym Source
9-Fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 21-acetate 17-isobutyrate ChemIDplus
Manual Xrefs Databases
350 DrugCentral
DB00443 DrugBank
View more database links
Registry Numbers Types Sources
2493686 Beilstein Registry Number Beilstein
5534-05-4 CAS Registry Number ChemIDplus
Last Modified
22 February 2017