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CHEBI:59583 - clocortolone pivalate

ChEBI IDCHEBI:59583
ChEBI Nameclocortolone pivalate
Stars
DefinitionThe 21-O-pivalate ester of clocortolone. It is used for the relief of inflammatory and pruritic (itching) skin disorders.
Last Modified22 February 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC27H36ClFO5
Net Charge0
Average Mass495.031
Monoisotopic Mass494.22353
SMILES[H][C@@]12C[C@H](F)C3=CC(=O)C=C[C@]3(C)[C@@]1(Cl)[C@@H](O)C[C@]1(C)[C@@H](C(=O)COC(=O)C(C)(C)C)[C@H](C)C[C@@]21[H]
InChIInChI=1S/C27H36ClFO5/c1-14-9-16-17-11-19(29)18-10-15(30)7-8-26(18,6)27(17,28)21(32)12-25(16,5)22(14)20(31)13-34-23(33)24(2,3)4/h7-8,10,14,16-17,19,21-22,32H,9,11-13H2,1-6H3/t14-,16+,17+,19+,21+,22-,25+,26+,27+/m1/s1
InChIKeySXYZQZLHAIHKKY-GSTUPEFVSA-N
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
Applications:
anti-inflammatory drug  A substance that reduces or suppresses inflammation.
antipruritic drug  A drug, usually applied topically, that relieves pruritus (itching).
ChEBI Ontology
Outgoing Relation(s)
clocortolone pivalate (CHEBI:59583) has functional parent clocortolone (CHEBI:59582)
clocortolone pivalate (CHEBI:59583) has role anti-inflammatory drug (CHEBI:35472)
clocortolone pivalate (CHEBI:59583) has role antipruritic drug (CHEBI:59683)
clocortolone pivalate (CHEBI:59583) is a 11β-hydroxy steroid (CHEBI:35346)
clocortolone pivalate (CHEBI:59583) is a 20-oxo steroid (CHEBI:36885)
clocortolone pivalate (CHEBI:59583) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
clocortolone pivalate (CHEBI:59583) is a chlorinated steroid (CHEBI:77175)
clocortolone pivalate (CHEBI:59583) is a fluorinated steroid (CHEBI:50830)
clocortolone pivalate (CHEBI:59583) is a glucocorticoid (CHEBI:24261)
clocortolone pivalate (CHEBI:59583) is a pivalate ester (CHEBI:50784)
IUPAC Name 
9-chloro-6α-fluoro-11β-hydroxy-16α-methyl-3,20-dioxopregna-1,4-dien-21-yl 2,2-dimethylpropanoate
Synonyms  Source
clocortolone 21-pivalateChemIDplus
9-chloro-6α-fluoro-11β,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione 21-pivalateChemIDplus
Manual XrefsDatabases
D02287KEGG DRUG
DB00838DrugBank
4606DrugCentral
Registry NumbersSources
CAS:34097-16-0ChemIDplus
CAS:34097-16-0KEGG DRUG