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CHEBI:31276 - betamethasone dipropionate

ChEBI IDCHEBI:31276
ChEBI Namebetamethasone dipropionate
Stars
DefinitionA steroid ester that is betamethasone in which the hydroxy hydrogens at positions 17 and 21 are replaced by propanoyl groups. It is used in combination with calcipotriene hydrate, a synthetic vitamin D analogue, for the topical treatment of plaque psoriasis in adult patients.
Last Modified22 February 2017
DownloadsMolfile
FormulaC28H37FO7
Net Charge0
Average Mass504.595
Monoisotopic Mass504.25233
SMILES[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1
InChIKeyCIWBQSYVNNPZIQ-XYWKZLDCSA-N
Wikipedia
Roles Classification
Application:
antipsoriatic  A drug used to treat psoriasis.
ChEBI Ontology
Outgoing Relation(s)
betamethasone dipropionate (CHEBI:31276) has functional parent betamethasone (CHEBI:3077)
betamethasone dipropionate (CHEBI:31276) has role antipsoriatic (CHEBI:50748)
betamethasone dipropionate (CHEBI:31276) is a 11β-hydroxy steroid (CHEBI:35346)
betamethasone dipropionate (CHEBI:31276) is a 20-oxo steroid (CHEBI:36885)
betamethasone dipropionate (CHEBI:31276) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
betamethasone dipropionate (CHEBI:31276) is a fluorinated steroid (CHEBI:50830)
betamethasone dipropionate (CHEBI:31276) is a propanoate ester (CHEBI:36243)
betamethasone dipropionate (CHEBI:31276) is a steroid ester (CHEBI:47880)
Incoming Relation(s)
Enstilar (CHEBI:90855) has part betamethasone dipropionate (CHEBI:31276)
IUPAC Name 
9-fluoro-11β-hydroxy-16β-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate
Synonyms  Source
9-Fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione-17,21-dipropionateChemIDplus
Betamethasone 17,21-dipropionateChemIDplus
Manual XrefsDatabases
D01637KEGG DRUG
DB00443DrugBank
Betamethasone_DipropionateWikipedia
353DrugCentral
Registry NumbersSources
Reaxys:3638108Reaxys
CAS:5593-20-4ChemIDplus
Citations