CHEBI:31277 - betamethasone valerate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name betamethasone valerate
ChEBI ID CHEBI:31277
Definition A steroid ester that is betamethasone in which the hydroxy group at the 17α position has been converted to the corresponding pentanoate ester.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H37FO6
Net Charge 0
Average Mass 476.57748
Monoisotopic Mass 476.25742
InChI InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1
InChIKey SNHRLVCMMWUAJD-SUYDQAKGSA-N
SMILES [H][C@@]12C[C@H](C)[C@](OC(=O)CCCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Roles Classification
Application(s): anti-inflammatory drug
A substance that reduces or suppresses inflammation.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing betamethasone valerate (CHEBI:31277) has functional parent betamethasone (CHEBI:3077)
betamethasone valerate (CHEBI:31277) has role anti-inflammatory drug (CHEBI:35472)
betamethasone valerate (CHEBI:31277) is a 11β-hydroxy steroid (CHEBI:35346)
betamethasone valerate (CHEBI:31277) is a 20-oxo steroid (CHEBI:36885)
betamethasone valerate (CHEBI:31277) is a 21-hydroxy steroid (CHEBI:35344)
betamethasone valerate (CHEBI:31277) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
betamethasone valerate (CHEBI:31277) is a fluorinated steroid (CHEBI:50830)
betamethasone valerate (CHEBI:31277) is a primary α-hydroxy ketone (CHEBI:139590)
betamethasone valerate (CHEBI:31277) is a steroid ester (CHEBI:47880)
IUPAC Name
9-fluoro-11β,21-dihydroxy-16β-methyl-3,20-dioxopregna-1,4-dien-17-yl pentanoate
Synonyms Sources
9-Fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione-17-valerate ChemIDplus
9-fluoro-11β,21-dihydroxy-16β-methyl-3,20-dioxopregna-1,4-dien-17-yl valerate ChEBI
Betamethasone 17-valerate ChemIDplus
Manual Xrefs Databases
354 DrugCentral
D01357 KEGG DRUG
DB00443 DrugBank
NL6406615 Patent
View more database links
Registry Numbers Types Sources
2152-44-5 CAS Registry Number ChemIDplus
4240001 Beilstein Registry Number Beilstein
Last Modified
06 February 2018